N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

C16H21N3O2 — CID 110336303

IUPACN-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2C)cc1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)17-15(20)13-10-14(19(4)18-13)11-6-8-12(21-5)9-7-11/h6-10H,1-5H3,(H,17,20)
InChIKeyMZJHVZMUXLBWJM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds3

About N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110336303) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110336303
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2C)cc1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)17-15(20)13-10-14(19(4)18-13)11-6-8-12(21-5)9-7-11/h6-10H,1-5H3,(H,17,20)
InChIKeyMZJHVZMUXLBWJM-UHFFFAOYSA-N
XLogP2.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337
N-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 42341833
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 92614454
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301
1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110615090
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336333
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 110336303) is N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2C)cc1.
What is the InChIKey of N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is MZJHVZMUXLBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)17-15(20)13-10-14(19(4)18-13)11-6-8-12(21-5)9-7-11/h6-10H,1-5H3,(H,17,20).
What are the key properties of N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).