3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide

C15H19ClF3N5O — CID 17021840

IUPAC3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1ccnn1CCCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C15H19ClF3N5O/c1-10-4-7-21-23(10)8-3-6-20-12(25)5-9-24-11(2)13(16)14(22-24)15(17,18)19/h4,7H,3,5-6,8-9H2,1-2H3,(H,20,25)
InChIKeyFMVYUWZZMXXFRL-UHFFFAOYSA-N
MW377.80 g/mol
LogP2.97
Rot. Bonds7

About 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide (PubChem CID 17021840) has the molecular formula C15H19ClF3N5O and a molecular weight of 377.80 g/mol. Its IUPAC name is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
PubChem CID17021840
Molecular FormulaC15H19ClF3N5O
Molecular Weight377.80 g/mol
Exact Mass377.12
IUPAC Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1ccnn1CCCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C15H19ClF3N5O/c1-10-4-7-21-23(10)8-3-6-20-12(25)5-9-24-11(2)13(16)14(22-24)15(17,18)19/h4,7H,3,5-6,8-9H2,1-2H3,(H,20,25)
InChIKeyFMVYUWZZMXXFRL-UHFFFAOYSA-N
XLogP2.97
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]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-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770840
4-chloro-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrazole
CID 15943589
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
CID 6499045
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4866946
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 17023044
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}propanamide
CID 19584493
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]acetamide
CID 56869396
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]acetamide
CID 91797470
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-pyrazolylpropan-1-one
CID 4770294
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 4770349
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4773174
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4773433

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide (CID 17021840) is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide is Cc1ccnn1CCCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C.
What is the InChIKey of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The InChIKey is FMVYUWZZMXXFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N5O/c1-10-4-7-21-23(10)8-3-6-20-12(25)5-9-24-11(2)13(16)14(22-24)15(17,18)19/h4,7H,3,5-6,8-9H2,1-2H3,(H,20,25).
What are the key properties of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide has a molecular weight of 377.80 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide is sourced from PubChem (CID 17021840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).