3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid

C18H17N3O2 — CID 69422030

IUPAC3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cccc(CNC4CC4)c3)c2c1
InChIInChI=1S/C18H17N3O2/c22-18(23)13-4-7-16-15(9-13)17(21-20-16)12-3-1-2-11(8-12)10-19-14-5-6-14/h1-4,7-9,14,19H,5-6,10H2,(H,20,21)(H,22,23)
InChIKeyMVYYMOKMGHIOKZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.18
Rot. Bonds5

About 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid

3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid (PubChem CID 69422030) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid
PubChem CID69422030
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cccc(CNC4CC4)c3)c2c1
InChIInChI=1S/C18H17N3O2/c22-18(23)13-4-7-16-15(9-13)17(21-20-16)12-3-1-2-11(8-12)10-19-14-5-6-14/h1-4,7-9,14,19H,5-6,10H2,(H,20,21)(H,22,23)
InChIKeyMVYYMOKMGHIOKZ-UHFFFAOYSA-N
XLogP3.18
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11484092
3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11280967
3-[3-[(cyclopropylamino)methyl]-2-fluorophenyl]-1H-indazole-5-carboxamide;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine
CID 157152862
benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
CID 11176634
3-[(spiro[5.5]undecan-3-ylamino)methyl]benzoic acid
CID 122033330
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
3-[[[(1R,3S)-3-cyanocyclopentyl]amino]methyl]benzoic acid
CID 122129337
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 166274928

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid (CID 69422030) is 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(-c3cccc(CNC4CC4)c3)c2c1.
What is the InChIKey of 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid?
The InChIKey is MVYYMOKMGHIOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(23)13-4-7-16-15(9-13)17(21-20-16)12-3-1-2-11(8-12)10-19-14-5-6-14/h1-4,7-9,14,19H,5-6,10H2,(H,20,21)(H,22,23).
What are the key properties of 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid?
3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 69422030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).