3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide

C14H22F2N4O2 — CID 48679862

IUPAC3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C14H22F2N4O2/c1-4-6-17-12(21)5-7-18-13(22)8-11-9(2)19-20(10(11)3)14(15)16/h14H,4-8H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyHMCYMNXFELZQDQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.47
Rot. Bonds8

About 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide

3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide (PubChem CID 48679862) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide
PubChem CID48679862
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC Name3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C14H22F2N4O2/c1-4-6-17-12(21)5-7-18-13(22)8-11-9(2)19-20(10(11)3)14(15)16/h14H,4-8H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyHMCYMNXFELZQDQ-UHFFFAOYSA-N
XLogP1.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide (CID 48679862) is 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)Cc1c(C)nn(C(F)F)c1C.
What is the InChIKey of 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide?
The InChIKey is HMCYMNXFELZQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-4-6-17-12(21)5-7-18-13(22)8-11-9(2)19-20(10(11)3)14(15)16/h14H,4-8H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide?
3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide has a molecular weight of 316.35 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 48679862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).