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

C15H17ClF3N5O — CID 4770685

IUPAC3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide
SMILESCn1ccc(CNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C2CC2)n1
InChIInChI=1S/C15H17ClF3N5O/c1-23-6-4-10(21-23)8-20-11(25)5-7-24-13(9-2-3-9)12(16)14(22-24)15(17,18)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,20,25)
InChIKeyBYNVHKGRNOHLIL-UHFFFAOYSA-N
MW375.78 g/mol
LogP2.87
Rot. Bonds6

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

3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 4770685) has the molecular formula C15H17ClF3N5O and a molecular weight of 375.78 g/mol. Its IUPAC name is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide
PubChem CID4770685
Molecular FormulaC15H17ClF3N5O
Molecular Weight375.78 g/mol
Exact Mass375.11
IUPAC Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide
SMILESCn1ccc(CNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C2CC2)n1
InChIInChI=1S/C15H17ClF3N5O/c1-23-6-4-10(21-23)8-20-11(25)5-7-24-13(9-2-3-9)12(16)14(22-24)15(17,18)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,20,25)
InChIKeyBYNVHKGRNOHLIL-UHFFFAOYSA-N
XLogP2.87
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide (CID 4770685) is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide is Cn1ccc(CNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C2CC2)n1.
What is the InChIKey of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is BYNVHKGRNOHLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N5O/c1-23-6-4-10(21-23)8-20-11(25)5-7-24-13(9-2-3-9)12(16)14(22-24)15(17,18)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,20,25).
What are the key properties of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 375.78 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 4770685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).