1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

C17H23ClN4O — CID 119301019

IUPAC1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2cccc(Cn3cccn3)c2)CCCC1
InChIInChI=1S/C17H22N4O.ClH/c18-17(7-1-2-8-17)16(22)19-12-14-5-3-6-15(11-14)13-21-10-4-9-20-21;/h3-6,9-11H,1-2,7-8,12-13,18H2,(H,19,22);1H
InChIKeyIYHIRIYCCYVOHF-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.24
Rot. Bonds5

About 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119301019) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119301019
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2cccc(Cn3cccn3)c2)CCCC1
InChIInChI=1S/C17H22N4O.ClH/c18-17(7-1-2-8-17)16(22)19-12-14-5-3-6-15(11-14)13-21-10-4-9-20-21;/h3-6,9-11H,1-2,7-8,12-13,18H2,(H,19,22);1H
InChIKeyIYHIRIYCCYVOHF-UHFFFAOYSA-N
XLogP2.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 111505115
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469
2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119301023
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
4-(aminomethyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120924765
(2S)-2-amino-3,3-dimethyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119744700
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
N,N-dimethyl-1-[[[N'-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111572077

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119301019) is 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2cccc(Cn3cccn3)c2)CCCC1.
What is the InChIKey of 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is IYHIRIYCCYVOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c18-17(7-1-2-8-17)16(22)19-12-14-5-3-6-15(11-14)13-21-10-4-9-20-21;/h3-6,9-11H,1-2,7-8,12-13,18H2,(H,19,22);1H.
What are the key properties of 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119301019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).