1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide

C16H20N4O — CID 61239452

IUPAC1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCCC1
InChIInChI=1S/C16H20N4O/c17-16(8-1-2-9-16)15(21)18-11-12-3-5-13(6-4-12)14-7-10-19-20-14/h3-7,10H,1-2,8-9,11,17H2,(H,18,21)(H,19,20)
InChIKeyAKLWSDPGAJSGEU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.96
Rot. Bonds4

About 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 61239452) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID61239452
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCCC1
InChIInChI=1S/C16H20N4O/c17-16(8-1-2-9-16)15(21)18-11-12-3-5-13(6-4-12)14-7-10-19-20-14/h3-7,10H,1-2,8-9,11,17H2,(H,18,21)(H,19,20)
InChIKeyAKLWSDPGAJSGEU-UHFFFAOYSA-N
XLogP1.96
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141348
1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 71893433
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 64677992
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
1-[(3S)-2-oxoazepan-3-yl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 97078096
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
1-[[(3S)-oxolan-3-yl]methyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 94181232
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide (CID 61239452) is 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide is NC1(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCCC1.
What is the InChIKey of 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is AKLWSDPGAJSGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(8-1-2-9-16)15(21)18-11-12-3-5-13(6-4-12)14-7-10-19-20-14/h3-7,10H,1-2,8-9,11,17H2,(H,18,21)(H,19,20).
What are the key properties of 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 61239452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).