5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide

C16H16N4O — CID 110863444

IUPAC5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc3cccnc23)n[nH]1
InChIInChI=1S/C16H16N4O/c1-10(2)13-9-14(20-19-13)16(21)18-12-7-3-5-11-6-4-8-17-15(11)12/h3-10H,1-2H3,(H,18,21)(H,19,20)
InChIKeyWZZFPTFTEARCPY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.33
Rot. Bonds3

About 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide

5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide (PubChem CID 110863444) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
PubChem CID110863444
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc3cccnc23)n[nH]1
InChIInChI=1S/C16H16N4O/c1-10(2)13-9-14(20-19-13)16(21)18-12-7-3-5-11-6-4-8-17-15(11)12/h3-10H,1-2H3,(H,18,21)(H,19,20)
InChIKeyWZZFPTFTEARCPY-UHFFFAOYSA-N
XLogP3.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yl-N-quinolin-8-yl-1,2-oxazole-3-carboxamide
CID 75538115
6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109319423
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694
N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47245202
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 87047322
6-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103186933
5-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103817057

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide (CID 110863444) is 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2cccc3cccnc23)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide?
The InChIKey is WZZFPTFTEARCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10(2)13-9-14(20-19-13)16(21)18-12-7-3-5-11-6-4-8-17-15(11)12/h3-10H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110863444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).