5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C12H19N3O — CID 53017365

IUPAC5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCCNC(=O)c1n[nH]c2c1CC(C)CC2
InChIInChI=1S/C12H19N3O/c1-3-6-13-12(16)11-9-7-8(2)4-5-10(9)14-15-11/h8H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyNJSQDXWBIDBAGK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds3

About 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 53017365) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID53017365
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCCNC(=O)c1n[nH]c2c1CC(C)CC2
InChIInChI=1S/C12H19N3O/c1-3-6-13-12(16)11-9-7-8(2)4-5-10(9)14-15-11/h8H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyNJSQDXWBIDBAGK-UHFFFAOYSA-N
XLogP1.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2874138
N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 25161455
5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161459
5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 25161469
5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161475
tert-butyl N-[3-[[5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]amino]propyl]carbamate
CID 25163043
N-cyclopentyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163871
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
2,2,6,6-tetramethyl-4-(2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)hydrazono)piperidinium
CID 801131
5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161456
N-(cyclopropylmethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161457
N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161458

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 53017365) is 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CCCNC(=O)c1n[nH]c2c1CC(C)CC2.
What is the InChIKey of 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is NJSQDXWBIDBAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-13-12(16)11-9-7-8(2)4-5-10(9)14-15-11/h8H,3-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 53017365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).