1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid

C13H13N3O3 — CID 115449941

IUPAC1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C13H13N3O3/c17-11(14-7-13(5-6-13)12(18)19)10-8-3-1-2-4-9(8)15-16-10/h1-4H,5-7H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyFFBSPUXEVRGNPL-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.16
Rot. Bonds4

About 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid

1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449941) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115449941
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C13H13N3O3/c17-11(14-7-13(5-6-13)12(18)19)10-8-3-1-2-4-9(8)15-16-10/h1-4H,5-7H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyFFBSPUXEVRGNPL-UHFFFAOYSA-N
XLogP1.16
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylcyclobutyl)methyl]-1H-indazole-3-carboxamide
CID 17488509
N-[(1-methylcyclobutyl)methyl]-1H-indazole-3-carboxamide
CID 103737418
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 114751357
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 103800055
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 52735058
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445167
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid
CID 64888218
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-(1-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 61229539

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid (CID 115449941) is 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1n[nH]c2ccccc12.
What is the InChIKey of 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FFBSPUXEVRGNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-11(14-7-13(5-6-13)12(18)19)10-8-3-1-2-4-9(8)15-16-10/h1-4H,5-7H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-indazole-3-carbonylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).