N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide

C10H12F2N4O2 — CID 103208297

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCn1cc(C#N)c(NC(=O)CCOCC(F)F)n1
InChIInChI=1S/C10H12F2N4O2/c1-16-5-7(4-13)10(15-16)14-9(17)2-3-18-6-8(11)12/h5,8H,2-3,6H2,1H3,(H,14,15,17)
InChIKeyGOOWSVNRILJUDW-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.90
Rot. Bonds6

About N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide

N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208297) has the molecular formula C10H12F2N4O2 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208297
Molecular FormulaC10H12F2N4O2
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCn1cc(C#N)c(NC(=O)CCOCC(F)F)n1
InChIInChI=1S/C10H12F2N4O2/c1-16-5-7(4-13)10(15-16)14-9(17)2-3-18-6-8(11)12/h5,8H,2-3,6H2,1H3,(H,14,15,17)
InChIKeyGOOWSVNRILJUDW-UHFFFAOYSA-N
XLogP0.90
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(1-isobutyl-4-methyl-1H-pyrazol-5-yl)propanamide
CID 132412401
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide
CID 132970581
N-[4-cyano-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681529
N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 79504036
N-(4-cyano-1-methylpyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79504314
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79504505
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205495
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide
CID 103205496
N-(4-cyano-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208287
N-(4-cyano-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208288
N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208296
N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208298

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103208297) is N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide is Cn1cc(C#N)c(NC(=O)CCOCC(F)F)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is GOOWSVNRILJUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2/c1-16-5-7(4-13)10(15-16)14-9(17)2-3-18-6-8(11)12/h5,8H,2-3,6H2,1H3,(H,14,15,17).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 258.23 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).