N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C19H17FN4O — CID 99626147

IUPACN-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)c1cccc2c1CCCN2
InChIInChI=1S/C19H17FN4O/c20-16-7-1-2-9-18(16)24-12-13(11-22-24)23-19(25)15-5-3-8-17-14(15)6-4-10-21-17/h1-3,5,7-9,11-12,21H,4,6,10H2,(H,23,25)
InChIKeyFROQOQGFJRVSCL-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.62
Rot. Bonds3

About N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 99626147) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID99626147
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)c1cccc2c1CCCN2
InChIInChI=1S/C19H17FN4O/c20-16-7-1-2-9-18(16)24-12-13(11-22-24)23-19(25)15-5-3-8-17-14(15)6-4-10-21-17/h1-3,5,7-9,11-12,21H,4,6,10H2,(H,23,25)
InChIKeyFROQOQGFJRVSCL-UHFFFAOYSA-N
XLogP3.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 75378606
5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 99821177
5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81230355
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850085
2-amino-6-chloro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 166234236
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 71856412
N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794282
5-(4-methoxypyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 114274259
N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 99626147) is N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is O=C(Nc1cnn(-c2ccccc2F)c1)c1cccc2c1CCCN2.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is FROQOQGFJRVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-16-7-1-2-9-18(16)24-12-13(11-22-24)23-19(25)15-5-3-8-17-14(15)6-4-10-21-17/h1-3,5,7-9,11-12,21H,4,6,10H2,(H,23,25).
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 99626147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).