N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C19H18ClN5O — CID 51118900

IUPACN-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)N1CCCC1c1ccncc1
InChIInChI=1S/C19H18ClN5O/c20-15-4-1-5-16(18(15)25-13-3-9-22-25)23-19(26)24-12-2-6-17(24)14-7-10-21-11-8-14/h1,3-5,7-11,13,17H,2,6,12H2,(H,23,26)
InChIKeyPSTLJYSRKQYBFT-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.29
Rot. Bonds3

About N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 51118900) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID51118900
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)N1CCCC1c1ccncc1
InChIInChI=1S/C19H18ClN5O/c20-15-4-1-5-16(18(15)25-13-3-9-22-25)23-19(26)24-12-2-6-17(24)14-7-10-21-11-8-14/h1,3-5,7-11,13,17H,2,6,12H2,(H,23,26)
InChIKeyPSTLJYSRKQYBFT-UHFFFAOYSA-N
XLogP4.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94156095
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 51116489
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110896821
(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076743
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 126788564

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 51118900) is N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1-n1cccn1)N1CCCC1c1ccncc1.
What is the InChIKey of N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is PSTLJYSRKQYBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-15-4-1-5-16(18(15)25-13-3-9-22-25)23-19(26)24-12-2-6-17(24)14-7-10-21-11-8-14/h1,3-5,7-11,13,17H,2,6,12H2,(H,23,26).
What are the key properties of N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51118900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).