N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide

C17H28N4O3 — CID 128980971

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide
SMILESCOC[C@@H]1C[C@@H](OC)CN1CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H28N4O3/c1-23-12-14-9-15(24-2)10-20(14)11-17(22)19-16-7-8-18-21(16)13-5-3-4-6-13/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyFTNZNYLWTSVRNZ-LSDHHAIUSA-N
MW336.44 g/mol
LogP1.67
Rot. Bonds7

About N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 128980971) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID128980971
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide
SMILESCOC[C@@H]1C[C@@H](OC)CN1CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H28N4O3/c1-23-12-14-9-15(24-2)10-20(14)11-17(22)19-16-7-8-18-21(16)13-5-3-4-6-13/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyFTNZNYLWTSVRNZ-LSDHHAIUSA-N
XLogP1.67
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 46613977
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CID 119910318
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
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CID 78772114
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
N-(2-cyclohexylpyrazol-3-yl)-2-(2-methylimidazol-1-yl)acetamide
CID 46997255
ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772836
N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30666713
(2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125019309
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide (CID 128980971) is N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide is COC[C@@H]1C[C@@H](OC)CN1CC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is FTNZNYLWTSVRNZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-23-12-14-9-15(24-2)10-20(14)11-17(22)19-16-7-8-18-21(16)13-5-3-4-6-13/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,19,22)/t14-,15+/m0/s1.
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128980971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).