N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide

C20H24ClN5O — CID 119048485

IUPACN-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)cc1CCC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C
InChIInChI=1S/C20H24ClN5O/c1-13(2)20-18(11-22-26(20)17-8-6-16(21)7-9-17)23-19(27)10-5-15-12-25(4)24-14(15)3/h6-9,11-13H,5,10H2,1-4H3,(H,23,27)
InChIKeyVNVCXNKKVIBCOR-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.26
Rot. Bonds6

About N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide

N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide (PubChem CID 119048485) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
PubChem CID119048485
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC NameN-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)cc1CCC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C
InChIInChI=1S/C20H24ClN5O/c1-13(2)20-18(11-22-26(20)17-8-6-16(21)7-9-17)23-19(27)10-5-15-12-25(4)24-14(15)3/h6-9,11-13H,5,10H2,1-4H3,(H,23,27)
InChIKeyVNVCXNKKVIBCOR-UHFFFAOYSA-N
XLogP4.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide (CID 119048485) is N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide is Cc1nn(C)cc1CCC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide?
The InChIKey is VNVCXNKKVIBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-13(2)20-18(11-22-26(20)17-8-6-16(21)7-9-17)23-19(27)10-5-15-12-25(4)24-14(15)3/h6-9,11-13H,5,10H2,1-4H3,(H,23,27).
What are the key properties of N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide?
N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide has a molecular weight of 385.90 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 119048485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).