N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C17H18N6O — CID 126766189

IUPACN-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCn1cnc(-c2ccc(NC(=O)C3CCCc4[nH]ncc43)cc2)n1
InChIInChI=1S/C17H18N6O/c1-23-10-18-16(22-23)11-5-7-12(8-6-11)20-17(24)13-3-2-4-15-14(13)9-19-21-15/h5-10,13H,2-4H2,1H3,(H,19,21)(H,20,24)
InChIKeyPHNCKMAKOMJYDU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.26
Rot. Bonds3

About N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 126766189) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID126766189
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCn1cnc(-c2ccc(NC(=O)C3CCCc4[nH]ncc43)cc2)n1
InChIInChI=1S/C17H18N6O/c1-23-10-18-16(22-23)11-5-7-12(8-6-11)20-17(24)13-3-2-4-15-14(13)9-19-21-15/h5-10,13H,2-4H2,1H3,(H,19,21)(H,20,24)
InChIKeyPHNCKMAKOMJYDU-UHFFFAOYSA-N
XLogP2.26
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide with MolForge

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Related Compounds

3-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166228974
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
cis-(1R,2S)-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129401772
N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126789214
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795027
4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75504194
(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 99782658
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 126793079
(4S)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 124576290
4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide
CID 154839096
(4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 97010653
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 75521085

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 126766189) is N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is Cn1cnc(-c2ccc(NC(=O)C3CCCc4[nH]ncc43)cc2)n1.
What is the InChIKey of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is PHNCKMAKOMJYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-23-10-18-16(22-23)11-5-7-12(8-6-11)20-17(24)13-3-2-4-15-14(13)9-19-21-15/h5-10,13H,2-4H2,1H3,(H,19,21)(H,20,24).
What are the key properties of N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 126766189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).