2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

C13H22N4O — CID 112669577

IUPAC2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CCCC1CN
InChIInChI=1S/C13H22N4O/c1-9-11(8-17(2)16-9)7-15-13(18)12-5-3-4-10(12)6-14/h8,10,12H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyVUBJXNWJWQLKFW-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.72
Rot. Bonds4

About 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 112669577) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID112669577
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CCCC1CN
InChIInChI=1S/C13H22N4O/c1-9-11(8-17(2)16-9)7-15-13(18)12-5-3-4-10(12)6-14/h8,10,12H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyVUBJXNWJWQLKFW-UHFFFAOYSA-N
XLogP0.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873603
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 112669514
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 114955964
(2R,5S)-5-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945620
(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155498362
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine
CID 112670222
(1R,2S,3S,4R)-3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124717628
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 115989984
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
(3S)-1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 103955881
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416867

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (CID 112669577) is 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is Cc1nn(C)cc1CNC(=O)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is VUBJXNWJWQLKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-11(8-17(2)16-9)7-15-13(18)12-5-3-4-10(12)6-14/h8,10,12H,3-7,14H2,1-2H3,(H,15,18).
What are the key properties of 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 112669577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).