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

C16H20F3N5O — CID 19452153

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
SMILESCN(Cc1ccn(C)n1)C(=O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H20F3N5O/c1-22(10-12-5-7-23(2)20-12)15(25)6-8-24-13(11-3-4-11)9-14(21-24)16(17,18)19/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyLTLDFLGFUOEYSR-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.56
Rot. Bonds6

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

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 19452153) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
PubChem CID19452153
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
SMILESCN(Cc1ccn(C)n1)C(=O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H20F3N5O/c1-22(10-12-5-7-23(2)20-12)15(25)6-8-24-13(11-3-4-11)9-14(21-24)16(17,18)19/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyLTLDFLGFUOEYSR-UHFFFAOYSA-N
XLogP2.56
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide (CID 19452153) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide is CN(Cc1ccn(C)n1)C(=O)CCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is LTLDFLGFUOEYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-22(10-12-5-7-23(2)20-12)15(25)6-8-24-13(11-3-4-11)9-14(21-24)16(17,18)19/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 355.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19452153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).