N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

C20H19Cl2N3O — CID 87026855

IUPACN-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19Cl2N3O/c1-25-13-14(12-23-25)2-11-19(26)24-20(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,12-13,20H,2,11H2,1H3,(H,24,26)
InChIKeyUZTOCKSKGFJWNO-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.57
Rot. Bonds6

About N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 87026855) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID87026855
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC NameN-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19Cl2N3O/c1-25-13-14(12-23-25)2-11-19(26)24-20(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,12-13,20H,2,11H2,1H3,(H,24,26)
InChIKeyUZTOCKSKGFJWNO-UHFFFAOYSA-N
XLogP4.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-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

Related Compounds

N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125139659
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258
N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 119587844
3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 94580103
4-[3-(1-methylpyrazol-4-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201149
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 94612179
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111450825
(2S,3S)-3-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119194048

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 87026855) is N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is UZTOCKSKGFJWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-25-13-14(12-23-25)2-11-19(26)24-20(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,12-13,20H,2,11H2,1H3,(H,24,26).
What are the key properties of N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 388.30 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 87026855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).