1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide

C14H15ClN4O — CID 114854747

IUPAC1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(Cl)cc2CNC2CC2)n1
InChIInChI=1S/C14H15ClN4O/c15-10-1-4-13(9(7-10)8-17-11-2-3-11)19-6-5-12(18-19)14(16)20/h1,4-7,11,17H,2-3,8H2,(H2,16,20)
InChIKeyWGNGZFVJOVEDRV-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.88
Rot. Bonds5

About 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide

1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 114854747) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
PubChem CID114854747
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(Cl)cc2CNC2CC2)n1
InChIInChI=1S/C14H15ClN4O/c15-10-1-4-13(9(7-10)8-17-11-2-3-11)19-6-5-12(18-19)14(16)20/h1,4-7,11,17H,2-3,8H2,(H2,16,20)
InChIKeyWGNGZFVJOVEDRV-UHFFFAOYSA-N
XLogP1.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide (CID 114854747) is 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccc(Cl)cc2CNC2CC2)n1.
What is the InChIKey of 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is WGNGZFVJOVEDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-10-1-4-13(9(7-10)8-17-11-2-3-11)19-6-5-12(18-19)14(16)20/h1,4-7,11,17H,2-3,8H2,(H2,16,20).
What are the key properties of 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide?
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 114854747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).