N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C13H16F3N5O — CID 19346125

IUPACN-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nn(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C13H16F3N5O/c1-8-6-11(13(14,15)16)19-21(8)5-4-12(22)17-10-7-20(3)18-9(10)2/h6-7H,4-5H2,1-3H3,(H,17,22)
InChIKeyYQUWUKDWXFQDJI-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.28
Rot. Bonds4

About N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19346125) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19346125
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nn(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C13H16F3N5O/c1-8-6-11(13(14,15)16)19-21(8)5-4-12(22)17-10-7-20(3)18-9(10)2/h6-7H,4-5H2,1-3H3,(H,17,22)
InChIKeyYQUWUKDWXFQDJI-UHFFFAOYSA-N
XLogP2.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19346125) is N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1nn(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is YQUWUKDWXFQDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-8-6-11(13(14,15)16)19-21(8)5-4-12(22)17-10-7-20(3)18-9(10)2/h6-7H,4-5H2,1-3H3,(H,17,22).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 315.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19346125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).