1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

C17H22N4O — CID 119699538

IUPAC1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCc2cnn(-c3ccccc3)c2)CCCC1
InChIInChI=1S/C17H22N4O/c18-13-17(8-4-5-9-17)16(22)19-10-14-11-20-21(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-12H,4-5,8-10,13,18H2,(H,19,22)
InChIKeyDYJQMNFGVISLJG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.01
Rot. Bonds5

About 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 119699538) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID119699538
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCc2cnn(-c3ccccc3)c2)CCCC1
InChIInChI=1S/C17H22N4O/c18-13-17(8-4-5-9-17)16(22)19-10-14-11-20-21(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-12H,4-5,8-10,13,18H2,(H,19,22)
InChIKeyDYJQMNFGVISLJG-UHFFFAOYSA-N
XLogP2.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120920833
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64892585
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62523609
1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
N,N-dimethyl-1-[[[N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571453
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 120771390
1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 112825128
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (CID 119699538) is 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is NCC1(C(=O)NCc2cnn(-c3ccccc3)c2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is DYJQMNFGVISLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-13-17(8-4-5-9-17)16(22)19-10-14-11-20-21(12-14)15-6-2-1-3-7-15/h1-3,6-7,11-12H,4-5,8-10,13,18H2,(H,19,22).
What are the key properties of 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119699538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).