N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide

C16H21N3O — CID 63998851

IUPACN-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cn[nH]c1C
InChIInChI=1S/C16H21N3O/c1-4-12(2)19(11-14-8-6-5-7-9-14)16(20)15-10-17-18-13(15)3/h5-10,12H,4,11H2,1-3H3,(H,17,18)
InChIKeyOSOXRGMOUSDJNL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.16
Rot. Bonds5

About N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide

N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 63998851) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID63998851
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cn[nH]c1C
InChIInChI=1S/C16H21N3O/c1-4-12(2)19(11-14-8-6-5-7-9-14)16(20)15-10-17-18-13(15)3/h5-10,12H,4,11H2,1-3H3,(H,17,18)
InChIKeyOSOXRGMOUSDJNL-UHFFFAOYSA-N
XLogP3.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-butan-2-yl-2,6-dimethylpyridine-3-carboxamide
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CID 63999824
benzyl(butan-2-yl)carbamic acid
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N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide
CID 134025956
N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
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CID 103817289
N-benzyl-N-butan-2-yl-5-methyl-2-phenyltriazole-4-carboxamide
CID 43025121
N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55756219
methyl 5-[benzyl(butan-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 56536486
N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
CID 112810487
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-benzyl-N-butan-2-yl-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625516

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide (CID 63998851) is N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)c1cn[nH]c1C.
What is the InChIKey of N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is OSOXRGMOUSDJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-12(2)19(11-14-8-6-5-7-9-14)16(20)15-10-17-18-13(15)3/h5-10,12H,4,11H2,1-3H3,(H,17,18).
What are the key properties of N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide?
N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63998851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).