3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide

C20H25N7O2 — CID 171719207

IUPAC3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2cc([C@@H]3CC[C@@H](c4ncc(C)cn4)C3)[nH]n2)n(C)n1
InChIInChI=1S/C20H25N7O2/c1-12-9-21-19(22-10-12)14-5-4-13(6-14)16-8-18(25-24-16)23-20(28)17-7-15(11-29-3)26-27(17)2/h7-10,13-14H,4-6,11H2,1-3H3,(H2,23,24,25,28)/t13-,14-/m1/s1
InChIKeyGLUUWDIAPZTVGM-ZIAGYGMSSA-N
MW395.47 g/mol
LogP2.69
Rot. Bonds6

About 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide

3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide (PubChem CID 171719207) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
PubChem CID171719207
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2cc([C@@H]3CC[C@@H](c4ncc(C)cn4)C3)[nH]n2)n(C)n1
InChIInChI=1S/C20H25N7O2/c1-12-9-21-19(22-10-12)14-5-4-13(6-14)16-8-18(25-24-16)23-20(28)17-7-15(11-29-3)26-27(17)2/h7-10,13-14H,4-6,11H2,1-3H3,(H2,23,24,25,28)/t13-,14-/m1/s1
InChIKeyGLUUWDIAPZTVGM-ZIAGYGMSSA-N
XLogP2.69
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 171719188
3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 170073507
3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 164879753
[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate
CID 170073133
N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 164880253
N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 171719219
[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141951
N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 169143537
[(1S,2R,3S)-2-fluoro-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143466
[(3R,4R,5R)-4-fluoro-5-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-[(2S)-2-methyl-1-bicyclo[1.1.1]pentanyl]carbamate
CID 169142345
[(1S,2R,4R)-2-fluoro-4-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169142117
[(1R,2R,3R)-2-fluoro-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate;[(1S,2S,3S)-2-fluoro-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl]-propan-2-ylcarbamic acid
CID 175931390

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide (CID 171719207) is 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide is COCc1cc(C(=O)Nc2cc([C@@H]3CC[C@@H](c4ncc(C)cn4)C3)[nH]n2)n(C)n1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The InChIKey is GLUUWDIAPZTVGM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-12-9-21-19(22-10-12)14-5-4-13(6-14)16-8-18(25-24-16)23-20(28)17-7-15(11-29-3)26-27(17)2/h7-10,13-14H,4-6,11H2,1-3H3,(H2,23,24,25,28)/t13-,14-/m1/s1.
What are the key properties of 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 171719207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).