N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide

C15H14N4O — CID 103856354

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncccc2c1)c1cn[nH]c1
InChIInChI=1S/C15H14N4O/c1-10(13-8-17-18-9-13)19-15(20)12-4-5-14-11(7-12)3-2-6-16-14/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyQFGUBZDIKYEAAS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.45
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide

N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide (PubChem CID 103856354) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
PubChem CID103856354
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncccc2c1)c1cn[nH]c1
InChIInChI=1S/C15H14N4O/c1-10(13-8-17-18-9-13)19-15(20)12-4-5-14-11(7-12)3-2-6-16-14/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyQFGUBZDIKYEAAS-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
3-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856378
N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106212712
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 97245131

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide (CID 103856354) is N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide is CC(NC(=O)c1ccc2ncccc2c1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide?
The InChIKey is QFGUBZDIKYEAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10(13-8-17-18-9-13)19-15(20)12-4-5-14-11(7-12)3-2-6-16-14/h2-10H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide?
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 103856354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).