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

C20H20F3N5O — CID 19563919

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)18-12-17(15-5-6-15)28(26-18)10-7-19(29)25-16-4-1-3-14(11-16)13-27-9-2-8-24-27/h1-4,8-9,11-12,15H,5-7,10,13H2,(H,25,29)
InChIKeyUDOBERNHANWKFY-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.05
Rot. Bonds7

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

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 19563919) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID19563919
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)18-12-17(15-5-6-15)28(26-18)10-7-19(29)25-16-4-1-3-14(11-16)13-27-9-2-8-24-27/h1-4,8-9,11-12,15H,5-7,10,13H2,(H,25,29)
InChIKeyUDOBERNHANWKFY-UHFFFAOYSA-N
XLogP4.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19563906
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 19564000
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
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19563818
N-(3-chloro-2-methylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563786
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 843383
N-(5-bromo-2-pyridinyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563799
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19564064
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19564031
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 19563919) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is UDOBERNHANWKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c21-20(22,23)18-12-17(15-5-6-15)28(26-18)10-7-19(29)25-16-4-1-3-14(11-16)13-27-9-2-8-24-27/h1-4,8-9,11-12,15H,5-7,10,13H2,(H,25,29).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 403.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 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-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 19563919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).