[1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone

C11H17N3O — CID 116600837

IUPAC[1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)C2(CN)CCCC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-7-9(6-13-14)10(15)11(8-12)4-2-3-5-11/h6-7H,2-5,8,12H2,1H3
InChIKeyZMNMYDYATYIETH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.12
Rot. Bonds3

About [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone

[1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 116600837) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone
PubChem CID116600837
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)C2(CN)CCCC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-7-9(6-13-14)10(15)11(8-12)4-2-3-5-11/h6-7H,2-5,8,12H2,1H3
InChIKeyZMNMYDYATYIETH-UHFFFAOYSA-N
XLogP1.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
CID 79066934
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
(1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79060407
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
(3-ethylpiperidin-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 116568468
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
4-amino-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116594802
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
CID 119259808
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115448781

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone (CID 116600837) is [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)C2(CN)CCCC2)cn1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is ZMNMYDYATYIETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-7-9(6-13-14)10(15)11(8-12)4-2-3-5-11/h6-7H,2-5,8,12H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone?
[1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 116600837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).