(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide

C17H22N4O2 — CID 155505277

IUPAC(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESN[C@H]1C[C@H](C(=O)NCc2ccccc2Cn2cccn2)C[C@@H]1O
InChIInChI=1S/C17H22N4O2/c18-15-8-14(9-16(15)22)17(23)19-10-12-4-1-2-5-13(12)11-21-7-3-6-20-21/h1-7,14-16,22H,8-11,18H2,(H,19,23)/t14-,15-,16-/m0/s1
InChIKeyHJIPZHYRJQDGAL-JYJNAYRXSA-N
MW314.39 g/mol
LogP0.65
Rot. Bonds5

About (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide

(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 155505277) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID155505277
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESN[C@H]1C[C@H](C(=O)NCc2ccccc2Cn2cccn2)C[C@@H]1O
InChIInChI=1S/C17H22N4O2/c18-15-8-14(9-16(15)22)17(23)19-10-12-4-1-2-5-13(12)11-21-7-3-6-20-21/h1-7,14-16,22H,8-11,18H2,(H,19,23)/t14-,15-,16-/m0/s1
InChIKeyHJIPZHYRJQDGAL-JYJNAYRXSA-N
XLogP0.65
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
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CID 31953910
(3R,6S)-6-amino-1-(oxan-4-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]azepane-3-carboxamide
CID 165423026
cis-(1R,3S)-2,2-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065237
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
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CID 24612713
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
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1-(4-methylsulfanylphenyl)-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 42944485
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CID 119697944
1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 110933208
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51281385
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 155505277) is (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide is N[C@H]1C[C@H](C(=O)NCc2ccccc2Cn2cccn2)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is HJIPZHYRJQDGAL-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-15-8-14(9-16(15)22)17(23)19-10-12-4-1-2-5-13(12)11-21-7-3-6-20-21/h1-7,14-16,22H,8-11,18H2,(H,19,23)/t14-,15-,16-/m0/s1.
What are the key properties of (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide?
(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 155505277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).