N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide

C24H29N3O3 — CID 21262997

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCOc1ccc(-c2cc(NC(=O)C(C)c3ccc(CC(C)C)cc3)n[nH]2)cc1OC
InChIInChI=1S/C24H29N3O3/c1-15(2)12-17-6-8-18(9-7-17)16(3)24(28)25-23-14-20(26-27-23)19-10-11-21(29-4)22(13-19)30-5/h6-11,13-16H,12H2,1-5H3,(H2,25,26,27,28)
InChIKeyASDKJGNFTZXDCL-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.03
Rot. Bonds8

About N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 21262997) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID21262997
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCOc1ccc(-c2cc(NC(=O)C(C)c3ccc(CC(C)C)cc3)n[nH]2)cc1OC
InChIInChI=1S/C24H29N3O3/c1-15(2)12-17-6-8-18(9-7-17)16(3)24(28)25-23-14-20(26-27-23)19-10-11-21(29-4)22(13-19)30-5/h6-11,13-16H,12H2,1-5H3,(H2,25,26,27,28)
InChIKeyASDKJGNFTZXDCL-UHFFFAOYSA-N
XLogP5.03
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide 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

3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782152
methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 2827389
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
(2R)-N-(3,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 102377979
5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 63047414
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782119
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 14297404
N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782184
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 21262997) is N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide is COc1ccc(-c2cc(NC(=O)C(C)c3ccc(CC(C)C)cc3)n[nH]2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is ASDKJGNFTZXDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15(2)12-17-6-8-18(9-7-17)16(3)24(28)25-23-14-20(26-27-23)19-10-11-21(29-4)22(13-19)30-5/h6-11,13-16H,12H2,1-5H3,(H2,25,26,27,28).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 407.51 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 21262997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).