[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone

C15H17ClN4O — CID 119411305

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C15H17ClN4O/c1-10-14(15(21)19-7-6-12(17)8-19)9-20(18-10)13-4-2-11(16)3-5-13/h2-5,9,12H,6-8,17H2,1H3/t12-/m1/s1
InChIKeyYPQIUAUBJRCOMA-GFCCVEGCSA-N
MW304.78 g/mol
LogP2.01
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone (PubChem CID 119411305) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone
PubChem CID119411305
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C15H17ClN4O/c1-10-14(15(21)19-7-6-12(17)8-19)9-20(18-10)13-4-2-11(16)3-5-13/h2-5,9,12H,6-8,17H2,1H3/t12-/m1/s1
InChIKeyYPQIUAUBJRCOMA-GFCCVEGCSA-N
XLogP2.01
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560888
3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124697243
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490627
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone
CID 97253157
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 110023360
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119412111
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone (CID 119411305) is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone is Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@@H](N)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone?
The InChIKey is YPQIUAUBJRCOMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10-14(15(21)19-7-6-12(17)8-19)9-20(18-10)13-4-2-11(16)3-5-13/h2-5,9,12H,6-8,17H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 119411305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).