[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone

C15H18N4O — CID 119634575

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESNCC1CCCN1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c16-11-13-7-4-9-18(13)15(20)14-8-10-19(17-14)12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11,16H2
InChIKeyNLKPEEFVMLNNIP-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.44
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone (PubChem CID 119634575) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
PubChem CID119634575
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESNCC1CCCN1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c16-11-13-7-4-9-18(13)15(20)14-8-10-19(17-14)12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11,16H2
InChIKeyNLKPEEFVMLNNIP-UHFFFAOYSA-N
XLogP1.44
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119634681
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95606018
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903
1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 119175836
[1-(2-aminophenyl)pyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210007
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone (CID 119634575) is [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone is NCC1CCCN1C(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is NLKPEEFVMLNNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-11-13-7-4-9-18(13)15(20)14-8-10-19(17-14)12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11,16H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 119634575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).