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'}

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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).