3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

C22H27F3N4O — CID 19563906

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H27F3N4O/c23-22(24,25)20-14-19(17-6-7-17)29(27-20)13-10-21(30)26-18-8-4-16(5-9-18)15-28-11-2-1-3-12-28/h4-5,8-9,14,17H,1-3,6-7,10-13,15H2,(H,26,30)
InChIKeyKCDNCBGBHCBYGF-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.79
Rot. Bonds7

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (PubChem CID 19563906) has the molecular formula C22H27F3N4O and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
PubChem CID19563906
Molecular FormulaC22H27F3N4O
Molecular Weight420.48 g/mol
Exact Mass420.21
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H27F3N4O/c23-22(24,25)20-14-19(17-6-7-17)29(27-20)13-10-21(30)26-18-8-4-16(5-9-18)15-28-11-2-1-3-12-28/h4-5,8-9,14,17H,1-3,6-7,10-13,15H2,(H,26,30)
InChIKeyKCDNCBGBHCBYGF-UHFFFAOYSA-N
XLogP4.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylpropanamide
CID 19563870
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19563919
N-(3-chloro-2-methylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563786
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 19564000
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride
CID 19620718
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563872
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19286518
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19335223
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19563818
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19564031
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46968211
N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563799

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (CID 19563906) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is O=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is KCDNCBGBHCBYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O/c23-22(24,25)20-14-19(17-6-7-17)29(27-20)13-10-21(30)26-18-8-4-16(5-9-18)15-28-11-2-1-3-12-28/h4-5,8-9,14,17H,1-3,6-7,10-13,15H2,(H,26,30).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 420.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 19563906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).