(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

C14H15ClN4O — CID 64524062

IUPAC(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCC2c2ccccc2Cl)[nH]n1
InChIInChI=1S/C14H15ClN4O/c15-10-5-2-1-4-9(10)12-6-3-7-19(12)14(20)11-8-13(16)18-17-11/h1-2,4-5,8,12H,3,6-7H2,(H3,16,17,18)
InChIKeyGOYWBMQNBQRGTG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.62
Rot. Bonds2

About (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 64524062) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID64524062
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCC2c2ccccc2Cl)[nH]n1
InChIInChI=1S/C14H15ClN4O/c15-10-5-2-1-4-9(10)12-6-3-7-19(12)14(20)11-8-13(16)18-17-11/h1-2,4-5,8,12H,3,6-7H2,(H3,16,17,18)
InChIKeyGOYWBMQNBQRGTG-UHFFFAOYSA-N
XLogP2.62
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 62081247
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118879489
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-1H-pyrazol-5-yl)methanone
CID 64524820
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 106686355
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 63524414
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 51612979
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (CID 64524062) is (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is Nc1cc(C(=O)N2CCCC2c2ccccc2Cl)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GOYWBMQNBQRGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-10-5-2-1-4-9(10)12-6-3-7-19(12)14(20)11-8-13(16)18-17-11/h1-2,4-5,8,12H,3,6-7H2,(H3,16,17,18).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 290.75 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 64524062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).