N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C9H13F2N3O2 — CID 104857235

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2/c1-5-7(6(2)14-13-5)8(16)12-3-9(10,11)4-15/h15H,3-4H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyCASZUVGLFNOFSZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.38
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 104857235) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID104857235
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2/c1-5-7(6(2)14-13-5)8(16)12-3-9(10,11)4-15/h15H,3-4H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyCASZUVGLFNOFSZ-UHFFFAOYSA-N
XLogP0.38
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 104857235) is N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is CASZUVGLFNOFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-5-7(6(2)14-13-5)8(16)12-3-9(10,11)4-15/h15H,3-4H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 233.22 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 104857235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).