[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone

C14H15ClN4O — CID 119410376

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1
InChIInChI=1S/C14H15ClN4O/c15-11-4-2-1-3-10(11)12-7-13(18-17-12)14(20)19-6-5-9(16)8-19/h1-4,7,9H,5-6,8,16H2,(H,17,18)/t9-/m1/s1
InChIKeySEKWJTRQEFXAMZ-SECBINFHSA-N
MW290.75 g/mol
LogP1.90
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 119410376) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID119410376
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1
InChIInChI=1S/C14H15ClN4O/c15-11-4-2-1-3-10(11)12-7-13(18-17-12)14(20)19-6-5-9(16)8-19/h1-4,7,9H,5-6,8,16H2,(H,17,18)/t9-/m1/s1
InChIKeySEKWJTRQEFXAMZ-SECBINFHSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
CID 119401108
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489210
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119409300
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480157
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 124611221
1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356183
(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119377654
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 46920414
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119483328

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone (CID 119410376) is [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone is N[C@@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is SEKWJTRQEFXAMZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-11-4-2-1-3-10(11)12-7-13(18-17-12)14(20)19-6-5-9(16)8-19/h1-4,7,9H,5-6,8,16H2,(H,17,18)/t9-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 290.75 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 119410376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).