2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

C14H16F3N5O — CID 843837

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H16F3N5O/c1-8-10(6-21(2)19-8)18-13(23)7-22-11(9-3-4-9)5-12(20-22)14(15,16)17/h5-6,9H,3-4,7H2,1-2H3,(H,18,23)
InChIKeyWKLYJZVUIXGACD-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.46
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 843837) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID843837
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H16F3N5O/c1-8-10(6-21(2)19-8)18-13(23)7-22-11(9-3-4-9)5-12(20-22)14(15,16)17/h5-6,9H,3-4,7H2,1-2H3,(H,18,23)
InChIKeyWKLYJZVUIXGACD-UHFFFAOYSA-N
XLogP2.46
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (CID 843837) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is Cc1nn(C)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is WKLYJZVUIXGACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-8-10(6-21(2)19-8)18-13(23)7-22-11(9-3-4-9)5-12(20-22)14(15,16)17/h5-6,9H,3-4,7H2,1-2H3,(H,18,23).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 327.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 843837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).