4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid

C15H17N3O3 — CID 60810348

IUPAC4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H17N3O3/c19-14(10-3-6-13-11(7-10)8-16-18-13)17-12-4-1-9(2-5-12)15(20)21/h3,6-9,12H,1-2,4-5H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyLDDDAZSBXBFMOO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds3

About 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid

4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 60810348) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID60810348
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H17N3O3/c19-14(10-3-6-13-11(7-10)8-16-18-13)17-12-4-1-9(2-5-12)15(20)21/h3,6-9,12H,1-2,4-5H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyLDDDAZSBXBFMOO-UHFFFAOYSA-N
XLogP1.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 22933507
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043468
N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
CID 22933430
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate
CID 90771041
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(1-cyclopentylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933774
N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
CID 67561766
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid (CID 60810348) is 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is LDDDAZSBXBFMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(10-3-6-13-11(7-10)8-16-18-13)17-12-4-1-9(2-5-12)15(20)21/h3,6-9,12H,1-2,4-5H2,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid?
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).