5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide

C19H13ClN4O — CID 137375595

IUPAC5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C19H13ClN4O/c20-18-15(12-21-24(18)14-7-2-1-3-8-14)19(25)23-17-11-10-13-6-4-5-9-16(13)22-17/h1-12H,(H,22,23,25)
InChIKeyKLVZYMURCNQYOG-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.33
Rot. Bonds3

About 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide

5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375595) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375595
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C19H13ClN4O/c20-18-15(12-21-24(18)14-7-2-1-3-8-14)19(25)23-17-11-10-13-6-4-5-9-16(13)22-17/h1-12H,(H,22,23,25)
InChIKeyKLVZYMURCNQYOG-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375595) is 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide is O=C(Nc1ccc2ccccc2n1)c1cnn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is KLVZYMURCNQYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-18-15(12-21-24(18)14-7-2-1-3-8-14)19(25)23-17-11-10-13-6-4-5-9-16(13)22-17/h1-12H,(H,22,23,25).
What are the key properties of 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).