3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide

C25H29N3O2 — CID 71588503

IUPAC3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide
SMILESCOc1ccc(Cn2nc(C3CC3)cc2NC(=O)c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C25H29N3O2/c1-25(2,3)20-7-5-6-19(14-20)24(29)26-23-15-22(18-10-11-18)27-28(23)16-17-8-12-21(30-4)13-9-17/h5-9,12-15,18H,10-11,16H2,1-4H3,(H,26,29)
InChIKeyKCORPTSXUINXNC-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.37
Rot. Bonds6

About 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide

3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide (PubChem CID 71588503) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide
PubChem CID71588503
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide
SMILESCOc1ccc(Cn2nc(C3CC3)cc2NC(=O)c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C25H29N3O2/c1-25(2,3)20-7-5-6-19(14-20)24(29)26-23-15-22(18-10-11-18)27-28(23)16-17-8-12-21(30-4)13-9-17/h5-9,12-15,18H,10-11,16H2,1-4H3,(H,26,29)
InChIKeyKCORPTSXUINXNC-UHFFFAOYSA-N
XLogP5.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678
3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid
CID 170650527
methyl 2-[3-[[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]carbamoyl]phenoxy]acetate
CID 55875529
N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 73213311
5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056071
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
CID 86939297
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152
4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide
CID 52564102
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methoxybenzamide
CID 19394052
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342
[2-[[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]amino]-4,6-dihydroxyphenyl]-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 155268864

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide?
The IUPAC name of 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide (CID 71588503) is 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide.
What is the SMILES notation for 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide?
The canonical SMILES for 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide is COc1ccc(Cn2nc(C3CC3)cc2NC(=O)c2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide?
The InChIKey is KCORPTSXUINXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-25(2,3)20-7-5-6-19(14-20)24(29)26-23-15-22(18-10-11-18)27-28(23)16-17-8-12-21(30-4)13-9-17/h5-9,12-15,18H,10-11,16H2,1-4H3,(H,26,29).
What are the key properties of 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide?
3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide is sourced from PubChem (CID 71588503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).