N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide

C14H19N3O — CID 63932230

IUPACN-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
SMILESCCC(C)CN(C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c1-4-10(2)9-17(3)14(18)13-11-7-5-6-8-12(11)15-16-13/h5-8,10H,4,9H2,1-3H3,(H,15,16)
InChIKeyCKLLRCNHCNSYOU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.68
Rot. Bonds4

About N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide

N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide (PubChem CID 63932230) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
PubChem CID63932230
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
SMILESCCC(C)CN(C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c1-4-10(2)9-17(3)14(18)13-11-7-5-6-8-12(11)15-16-13/h5-8,10H,4,9H2,1-3H3,(H,15,16)
InChIKeyCKLLRCNHCNSYOU-UHFFFAOYSA-N
XLogP2.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N-(3-amino-4-methylpentyl)-N-methyl-1H-indazole-3-carboxamide
CID 81484244
N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide
CID 60608504
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60636572
N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63239690
ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 142077122
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide (CID 63932230) is N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide is CCC(C)CN(C)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide?
The InChIKey is CKLLRCNHCNSYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-10(2)9-17(3)14(18)13-11-7-5-6-8-12(11)15-16-13/h5-8,10H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide?
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 63932230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).