N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide

C19H25N3O2 — CID 10520273

IUPACN-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCCCC(=O)c1cccc(NC(=O)c2cc(C(C)(C)C)nn2C)c1
InChIInChI=1S/C19H25N3O2/c1-6-8-16(23)13-9-7-10-14(11-13)20-18(24)15-12-17(19(2,3)4)21-22(15)5/h7,9-12H,6,8H2,1-5H3,(H,20,24)
InChIKeyGHHOLXVRDFWRCC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.95
Rot. Bonds5

About N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide

N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide (PubChem CID 10520273) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
PubChem CID10520273
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCCCC(=O)c1cccc(NC(=O)c2cc(C(C)(C)C)nn2C)c1
InChIInChI=1S/C19H25N3O2/c1-6-8-16(23)13-9-7-10-14(11-13)20-18(24)15-12-17(19(2,3)4)21-22(15)5/h7,9-12H,6,8H2,1-5H3,(H,20,24)
InChIKeyGHHOLXVRDFWRCC-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
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CID 66120934
3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119516235
N-(3-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119749
3-[6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 69388559
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224356
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
3-ethyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 77113197
3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 21369517

Frequently Asked Questions

What is the IUPAC name of N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide (CID 10520273) is N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide is CCCC(=O)c1cccc(NC(=O)c2cc(C(C)(C)C)nn2C)c1.
What is the InChIKey of N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The InChIKey is GHHOLXVRDFWRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-6-8-16(23)13-9-7-10-14(11-13)20-18(24)15-12-17(19(2,3)4)21-22(15)5/h7,9-12H,6,8H2,1-5H3,(H,20,24).
What are the key properties of N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 10520273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).