N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide

C12H14N4O — CID 103120569

IUPACN-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2N)c2ccccc21
InChIInChI=1S/C12H14N4O/c1-16-10-5-3-2-4-7(10)11(15-16)12(17)14-9-6-8(9)13/h2-5,8-9H,6,13H2,1H3,(H,14,17)
InChIKeyKXDXNYAKHYSCCF-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.40
Rot. Bonds2

About N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide

N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide (PubChem CID 103120569) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
PubChem CID103120569
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2N)c2ccccc21
InChIInChI=1S/C12H14N4O/c1-16-10-5-3-2-4-7(10)11(15-16)12(17)14-9-6-8(9)13/h2-5,8-9H,6,13H2,1H3,(H,14,17)
InChIKeyKXDXNYAKHYSCCF-UHFFFAOYSA-N
XLogP0.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide
CID 103117381
N-(4-chloro-1,1-dioxothiolan-3-yl)-1-methylindazole-3-carboxamide
CID 103119724
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 67274324
methanesulfonic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 71728255
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
N-(2-bromo-4-methylidenecyclohexyl)-1-methylindazole-3-carboxamide
CID 91413748
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690
2-[(1R,5S)-3-[(1-methylindazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]acetic acid
CID 101096898
(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride
CID 162324070

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide (CID 103120569) is N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NC2CC2N)c2ccccc21.
What is the InChIKey of N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide?
The InChIKey is KXDXNYAKHYSCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-10-5-3-2-4-7(10)11(15-16)12(17)14-9-6-8(9)13/h2-5,8-9H,6,13H2,1H3,(H,14,17).
What are the key properties of N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide?
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103120569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).