N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride

C19H27ClN4O — CID 119568245

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-14-17(12-18(24)21-19(13-20)10-6-7-11-19)15(2)23(22-14)16-8-4-3-5-9-16;/h3-5,8-9H,6-7,10-13,20H2,1-2H3,(H,21,24);1H
InChIKeyZDAFOBZEXWRNFE-UHFFFAOYSA-N
MW362.91 g/mol
LogP2.84
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride (PubChem CID 119568245) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride
PubChem CID119568245
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-14-17(12-18(24)21-19(13-20)10-6-7-11-19)15(2)23(22-14)16-8-4-3-5-9-16;/h3-5,8-9H,6-7,10-13,20H2,1-2H3,(H,21,24);1H
InChIKeyZDAFOBZEXWRNFE-UHFFFAOYSA-N
XLogP2.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217147
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008464
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
N-[1-(aminomethyl)cyclopentyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119566924
N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119565839
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
N-(benzimidazol-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34334624
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907001
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
CID 9327240
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143283

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride (CID 119568245) is N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride?
The InChIKey is ZDAFOBZEXWRNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-14-17(12-18(24)21-19(13-20)10-6-7-11-19)15(2)23(22-14)16-8-4-3-5-9-16;/h3-5,8-9H,6-7,10-13,20H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119568245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).