N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide

C24H27N3O3 — CID 3467308

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1
InChIInChI=1S/C24H27N3O3/c1-24(2,3)21-16-22(27(26-21)18-9-7-6-8-10-18)25-23(28)14-11-17-15-19(29-4)12-13-20(17)30-5/h6-16H,1-5H3,(H,25,28)
InChIKeyYCBIPBHSJCVVOA-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.84
Rot. Bonds6

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 3467308) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
PubChem CID3467308
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1
InChIInChI=1S/C24H27N3O3/c1-24(2,3)21-16-22(27(26-21)18-9-7-6-8-10-18)25-23(28)14-11-17-15-19(29-4)12-13-20(17)30-5/h6-16H,1-5H3,(H,25,28)
InChIKeyYCBIPBHSJCVVOA-UHFFFAOYSA-N
XLogP4.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7653934
(E)-N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 2473791
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 5125643
2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-5-methoxybenzamide
CID 91314115
(E)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 56550984
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
2-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3544759
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-hydroxybenzoic acid
CID 108753993
(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide
CID 26592309

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide (CID 3467308) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide is COc1ccc(OC)c(C=CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is YCBIPBHSJCVVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-24(2,3)21-16-22(27(26-21)18-9-7-6-8-10-18)25-23(28)14-11-17-15-19(29-4)12-13-20(17)30-5/h6-16H,1-5H3,(H,25,28).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 405.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3467308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).