1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C14H16N4O — CID 123591511

IUPAC1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1cc(-n2nc(C(N)=O)c3c2CCCC3)ccn1
InChIInChI=1S/C14H16N4O/c1-9-8-10(6-7-16-9)18-12-5-3-2-4-11(12)13(17-18)14(15)19/h6-8H,2-5H2,1H3,(H2,15,19)
InChIKeyOXHPDHFWISVMQS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.55
Rot. Bonds2

About 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 123591511) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID123591511
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1cc(-n2nc(C(N)=O)c3c2CCCC3)ccn1
InChIInChI=1S/C14H16N4O/c1-9-8-10(6-7-16-9)18-12-5-3-2-4-11(12)13(17-18)14(15)19/h6-8H,2-5H2,1H3,(H2,15,19)
InChIKeyOXHPDHFWISVMQS-UHFFFAOYSA-N
XLogP1.55
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16771623
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
1-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 16777598
1-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771372
1-(3-bromo-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 63333802
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55784533
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
1-[3-[(3R)-5-(dimethylamino)-3-formyl-3-hydroxypent-1-ynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 129159760
1-[4-[5-[formyl(methyl)amino]-3-hydroxy-3-methylpent-1-ynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 123989257
1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 62635467
N-(5-amino-2-methylphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 120568710
1-methyl-3-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroquinolin-2-one
CID 74244216

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 123591511) is 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1cc(-n2nc(C(N)=O)c3c2CCCC3)ccn1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is OXHPDHFWISVMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-8-10(6-7-16-9)18-12-5-3-2-4-11(12)13(17-18)14(15)19/h6-8H,2-5H2,1H3,(H2,15,19).
What are the key properties of 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 123591511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).