1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide

C13H21N7O — CID 97098017

IUPAC1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide
SMILESCCC[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1nn[nH]n1
InChIInChI=1S/C13H21N7O/c1-5-6-9(12-15-18-19-16-12)14-13(21)11-7-10(8(2)3)17-20(11)4/h7-9H,5-6H2,1-4H3,(H,14,21)(H,15,16,18,19)/t9-/m1/s1
InChIKeyZFEQUHYPTJYWLR-SECBINFHSA-N
MW291.36 g/mol
LogP1.33
Rot. Bonds6

About 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide

1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide (PubChem CID 97098017) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide
PubChem CID97098017
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide
SMILESCCC[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1nn[nH]n1
InChIInChI=1S/C13H21N7O/c1-5-6-9(12-15-18-19-16-12)14-13(21)11-7-10(8(2)3)17-20(11)4/h7-9H,5-6H2,1-4H3,(H,14,21)(H,15,16,18,19)/t9-/m1/s1
InChIKeyZFEQUHYPTJYWLR-SECBINFHSA-N
XLogP1.33
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide with MolForge

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Related Compounds

5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide
CID 71920433
2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 99814772
2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 102562004
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 96582437
4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
CID 71853665
N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
CID 97184162
N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70758162
1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 66120822
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50948945
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
(2S)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pentanoic acid
CID 107564294
4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
CID 119813138

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide (CID 97098017) is 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide is CCC[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1nn[nH]n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide?
The InChIKey is ZFEQUHYPTJYWLR-SECBINFHSA-N. The full InChI is InChI=1S/C13H21N7O/c1-5-6-9(12-15-18-19-16-12)14-13(21)11-7-10(8(2)3)17-20(11)4/h7-9H,5-6H2,1-4H3,(H,14,21)(H,15,16,18,19)/t9-/m1/s1.
What are the key properties of 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide is sourced from PubChem (CID 97098017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).