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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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).