N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C14H16N4O — CID 61284513

IUPACN-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H16N4O/c19-14(16-9-12-5-7-17-18-12)11-3-4-13-10(8-11)2-1-6-15-13/h3-5,7-8,15H,1-2,6,9H2,(H,16,19)(H,17,18)
InChIKeyYWHDJWQRAJJFFS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.70
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 61284513) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID61284513
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H16N4O/c19-14(16-9-12-5-7-17-18-12)11-3-4-13-10(8-11)2-1-6-15-13/h3-5,7-8,15H,1-2,6,9H2,(H,16,19)(H,17,18)
InChIKeyYWHDJWQRAJJFFS-UHFFFAOYSA-N
XLogP1.70
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63825530
N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106397173
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61003653
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
N-[(2-methoxy-4-pyridinyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 142859474
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
N-[(5-bromopyrazin-2-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxamide
CID 166416128
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 61284513) is N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(NCc1ccn[nH]1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is YWHDJWQRAJJFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(16-9-12-5-7-17-18-12)11-3-4-13-10(8-11)2-1-6-15-13/h3-5,7-8,15H,1-2,6,9H2,(H,16,19)(H,17,18).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 61284513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).