4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C15H19N5O3 — CID 167827389

IUPAC4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCC(C)n1cc2c(n1)C(C(=O)Nc1cn[nH]c1C(=O)O)CCC2
InChIInChI=1S/C15H19N5O3/c1-8(2)20-7-9-4-3-5-10(12(9)19-20)14(21)17-11-6-16-18-13(11)15(22)23/h6-8,10H,3-5H2,1-2H3,(H,16,18)(H,17,21)(H,22,23)
InChIKeyMFOYZTHZNHGORZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.94
Rot. Bonds4

About 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 167827389) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID167827389
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCC(C)n1cc2c(n1)C(C(=O)Nc1cn[nH]c1C(=O)O)CCC2
InChIInChI=1S/C15H19N5O3/c1-8(2)20-7-9-4-3-5-10(12(9)19-20)14(21)17-11-6-16-18-13(11)15(22)23/h6-8,10H,3-5H2,1-2H3,(H,16,18)(H,17,21)(H,22,23)
InChIKeyMFOYZTHZNHGORZ-UHFFFAOYSA-N
XLogP1.94
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid with MolForge

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Related Compounds

5-methyl-N-[(7R)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1H-pyrazole-3-carboxamide
CID 97346855
2-ethoxy-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 75484165
1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea
CID 166205955
N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 97346848
4-chloro-2-methyl-5-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one
CID 166206270
2-(furan-2-yl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139001083
N-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-amine
CID 112712282
(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100659560
4-fluoroaniline;4-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 68846597
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 126986453
N-[5-(cyclopropylmethylcarbamoyl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide
CID 59733404
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 155225300

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 167827389) is 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is CC(C)n1cc2c(n1)C(C(=O)Nc1cn[nH]c1C(=O)O)CCC2.
What is the InChIKey of 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is MFOYZTHZNHGORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-8(2)20-7-9-4-3-5-10(12(9)19-20)14(21)17-11-6-16-18-13(11)15(22)23/h6-8,10H,3-5H2,1-2H3,(H,16,18)(H,17,21)(H,22,23).
What are the key properties of 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 167827389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).