N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide

C14H23N3O3 — CID 164637464

IUPACN-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@]2(O)CCCC2(C)C)nn1C
InChIInChI=1S/C14H23N3O3/c1-13(2)6-5-7-14(13,19)9-15-12(18)10-8-11(20-4)17(3)16-10/h8,19H,5-7,9H2,1-4H3,(H,15,18)/t14-/m1/s1
InChIKeyYUHSJSCYKOHETG-CQSZACIVSA-N
MW281.36 g/mol
LogP1.10
Rot. Bonds4

About N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide

N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 164637464) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide
PubChem CID164637464
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@]2(O)CCCC2(C)C)nn1C
InChIInChI=1S/C14H23N3O3/c1-13(2)6-5-7-14(13,19)9-15-12(18)10-8-11(20-4)17(3)16-10/h8,19H,5-7,9H2,1-4H3,(H,15,18)/t14-/m1/s1
InChIKeyYUHSJSCYKOHETG-CQSZACIVSA-N
XLogP1.10
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
CID 121523355
N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
CID 129399864
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
CID 129399865
N-(3,3-dimethyl-2-oxobutyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 95753649
N-(2-ethyl-4-hydroxybutyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579059
N-(1-hydroxy-4-methylpentan-3-yl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579062
(4-Hydroxy-4-methylpiperidin-1-yl)-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 113579084
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579097
N-(2-hydroxy-3-methylbutyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579118
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579163
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579196
N-(6-hydroxyhexyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 113579210

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide (CID 164637464) is N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide is COc1cc(C(=O)NC[C@]2(O)CCCC2(C)C)nn1C.
What is the InChIKey of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is YUHSJSCYKOHETG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-13(2)6-5-7-14(13,19)9-15-12(18)10-8-11(20-4)17(3)16-10/h8,19H,5-7,9H2,1-4H3,(H,15,18)/t14-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide?
N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164637464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).