N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride

C14H16Cl2N4O — CID 119773583

IUPACN-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1-c1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C14H15ClN4O.ClH/c15-11-2-1-3-12(8-11)19-13(5-7-17-19)18-14(20)10-4-6-16-9-10;/h1-3,5,7-8,10,16H,4,6,9H2,(H,18,20);1H
InChIKeyYWFBUFIADNUUIU-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.50
Rot. Bonds3

About N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119773583) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.21 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119773583
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.21 g/mol
Exact Mass326.07
IUPAC NameN-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1-c1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C14H15ClN4O.ClH/c15-11-2-1-3-12(8-11)19-13(5-7-17-19)18-14(20)10-4-6-16-9-10;/h1-3,5,7-8,10,16H,4,6,9H2,(H,18,20);1H
InChIKeyYWFBUFIADNUUIU-UHFFFAOYSA-N
XLogP2.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119773561
N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide
CID 119773568
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide
CID 166219983
(3R)-N-[2-(azetidin-3-yl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 165482654
N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119346019
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119274820
N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 119710942
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119274816
(3R)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119455

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 119773583) is N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccnn1-c1cccc(Cl)c1)C1CCNC1.
What is the InChIKey of N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YWFBUFIADNUUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O.ClH/c15-11-2-1-3-12(8-11)19-13(5-7-17-19)18-14(20)10-4-6-16-9-10;/h1-3,5,7-8,10,16H,4,6,9H2,(H,18,20);1H.
What are the key properties of N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 327.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119773583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).