N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C15H18N4O — CID 106212712

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCCN2)c1cn[nH]c1
InChIInChI=1S/C15H18N4O/c1-10(13-8-17-18-9-13)19-15(20)12-4-5-14-11(7-12)3-2-6-16-14/h4-5,7-10,16H,2-3,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyURDOEQHQWYFJPT-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.26
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 106212712) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID106212712
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCCN2)c1cn[nH]c1
InChIInChI=1S/C15H18N4O/c1-10(13-8-17-18-9-13)19-15(20)12-4-5-14-11(7-12)3-2-6-16-14/h4-5,7-10,16H,2-3,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyURDOEQHQWYFJPT-UHFFFAOYSA-N
XLogP2.26
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81394978
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106161445
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 106212712) is N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is CC(NC(=O)c1ccc2c(c1)CCCN2)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is URDOEQHQWYFJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(13-8-17-18-9-13)19-15(20)12-4-5-14-11(7-12)3-2-6-16-14/h4-5,7-10,16H,2-3,6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 106212712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).