4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide

C20H16N4O — CID 71566348

IUPAC4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCc1c(-c2cc(C(N)=O)nc3ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C20H16N4O/c1-13-17(12-22-24(13)14-7-3-2-4-8-14)16-11-19(20(21)25)23-18-10-6-5-9-15(16)18/h2-12H,1H3,(H2,21,25)
InChIKeySXEVSULQSFBBQR-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.49
Rot. Bonds3

About 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide

4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 71566348) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID71566348
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCc1c(-c2cc(C(N)=O)nc3ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C20H16N4O/c1-13-17(12-22-24(13)14-7-3-2-4-8-14)16-11-19(20(21)25)23-18-10-6-5-9-15(16)18/h2-12H,1H3,(H2,21,25)
InChIKeySXEVSULQSFBBQR-UHFFFAOYSA-N
XLogP3.49
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide (CID 71566348) is 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide is Cc1c(-c2cc(C(N)=O)nc3ccccc23)cnn1-c1ccccc1.
What is the InChIKey of 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is SXEVSULQSFBBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-17(12-22-24(13)14-7-3-2-4-8-14)16-11-19(20(21)25)23-18-10-6-5-9-15(16)18/h2-12H,1H3,(H2,21,25).
What are the key properties of 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide?
4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 71566348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).