N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide

C29H39N5O4 — CID 42740974

IUPACN-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
SMILESCOc1ccc(NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2C)C(C)C)c(OC)c1
InChIInChI=1S/C29H39N5O4/c1-18(2)33(28(36)30-22-14-13-21(37-8)15-24(22)38-9)17-27(35)31-26-16-25(29(5,6)7)32-34(26)23-12-10-11-19(3)20(23)4/h10-16,18H,17H2,1-9H3,(H,30,36)(H,31,35)
InChIKeyGFWHQVBTFOWLSJ-UHFFFAOYSA-N
MW521.66 g/mol
LogP5.68
Rot. Bonds8

About N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide

N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide (PubChem CID 42740974) has the molecular formula C29H39N5O4 and a molecular weight of 521.66 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
PubChem CID42740974
Molecular FormulaC29H39N5O4
Molecular Weight521.66 g/mol
Exact Mass521.30
IUPAC NameN-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
SMILESCOc1ccc(NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2C)C(C)C)c(OC)c1
InChIInChI=1S/C29H39N5O4/c1-18(2)33(28(36)30-22-14-13-21(37-8)15-24(22)38-9)17-27(35)31-26-16-25(29(5,6)7)32-34(26)23-12-10-11-19(3)20(23)4/h10-16,18H,17H2,1-9H3,(H,30,36)(H,31,35)
InChIKeyGFWHQVBTFOWLSJ-UHFFFAOYSA-N
XLogP5.68
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide 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-(2-methylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-pentylamino]acetamide
CID 42735960
(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide
CID 1060811
N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 1060824
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052740
2-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3544759
ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate
CID 4545362
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42733897
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 42740757
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,3-dimethylphenyl)carbamoyl-propylamino]acetamide
CID 1052648
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 1056426
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 4036059
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 1062269

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide (CID 42740974) is N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide is COc1ccc(NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2C)C(C)C)c(OC)c1.
What is the InChIKey of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?
The InChIKey is GFWHQVBTFOWLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O4/c1-18(2)33(28(36)30-22-14-13-21(37-8)15-24(22)38-9)17-27(35)31-26-16-25(29(5,6)7)32-34(26)23-12-10-11-19(3)20(23)4/h10-16,18H,17H2,1-9H3,(H,30,36)(H,31,35).
What are the key properties of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide has a molecular weight of 521.66 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 42740974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).