N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide

C10H13F4N3O — CID 75444492

IUPACN-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide
SMILESCCCN(CC(F)F)C(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C10H13F4N3O/c1-2-4-16(6-8(11)12)9(18)7-3-5-17(15-7)10(13)14/h3,5,8,10H,2,4,6H2,1H3
InChIKeyCCGQXELYMTZWOZ-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.40
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide

N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide (PubChem CID 75444492) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide
PubChem CID75444492
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC NameN-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide
SMILESCCCN(CC(F)F)C(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C10H13F4N3O/c1-2-4-16(6-8(11)12)9(18)7-3-5-17(15-7)10(13)14/h3,5,8,10H,2,4,6H2,1H3
InChIKeyCCGQXELYMTZWOZ-UHFFFAOYSA-N
XLogP2.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
1H-Pyrazole-3-carboxaldehyde, 1-(2,2,2-trifluoroethyl)-
CID 54556375
1-(2,2-difluoroethyl)-1H-pyrazole-3-carbaldehyde
CID 60136487
1H-Pyrazole-3-carboxaldehyde, 1-(difluoromethyl)-
CID 71758119

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide (CID 75444492) is N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide is CCCN(CC(F)F)C(=O)c1ccn(C(F)F)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide?
The InChIKey is CCGQXELYMTZWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-2-4-16(6-8(11)12)9(18)7-3-5-17(15-7)10(13)14/h3,5,8,10H,2,4,6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide?
N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide has a molecular weight of 267.23 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 75444492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).