N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C20H19N3O — CID 58310850

IUPACN-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)C1CCc2ccccc2C1
InChIInChI=1S/C20H19N3O/c24-20(17-6-5-14-3-1-2-4-16(14)11-17)23-19-9-7-15(8-10-19)18-12-21-22-13-18/h1-4,7-10,12-13,17H,5-6,11H2,(H,21,22)(H,23,24)
InChIKeyKDQRIRSRUHJVLE-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.82
Rot. Bonds3

About N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 58310850) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID58310850
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)C1CCc2ccccc2C1
InChIInChI=1S/C20H19N3O/c24-20(17-6-5-14-3-1-2-4-16(14)11-17)23-19-9-7-15(8-10-19)18-12-21-22-13-18/h1-4,7-10,12-13,17H,5-6,11H2,(H,21,22)(H,23,24)
InChIKeyKDQRIRSRUHJVLE-UHFFFAOYSA-N
XLogP3.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 117075909
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 58310844
(3S)-1-oxo-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 117076188
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127200
N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 58310669
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127185
N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126932
N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126694
N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
(4aR,6S,8aR)-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163334580

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 58310850) is N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc(-c2cn[nH]c2)cc1)C1CCc2ccccc2C1.
What is the InChIKey of N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KDQRIRSRUHJVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(17-6-5-14-3-1-2-4-16(14)11-17)23-19-9-7-15(8-10-19)18-12-21-22-13-18/h1-4,7-10,12-13,17H,5-6,11H2,(H,21,22)(H,23,24).
What are the key properties of N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 58310850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).