5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide

C13H19F2N3O2 — CID 121495548

IUPAC5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C13H19F2N3O2/c1-18(6-2-4-9-5-3-7-20-9)13(19)11-8-10(12(14)15)16-17-11/h8-9,12H,2-7H2,1H3,(H,16,17)
InChIKeySPCOBSFNILGOIV-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.38
Rot. Bonds6

About 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide (PubChem CID 121495548) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
PubChem CID121495548
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C13H19F2N3O2/c1-18(6-2-4-9-5-3-7-20-9)13(19)11-8-10(12(14)15)16-17-11/h8-9,12H,2-7H2,1H3,(H,16,17)
InChIKeySPCOBSFNILGOIV-UHFFFAOYSA-N
XLogP2.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95301857
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125168534
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70734672
N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide
CID 125161756
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide (CID 121495548) is 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide is CN(CCCC1CCCO1)C(=O)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SPCOBSFNILGOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-18(6-2-4-9-5-3-7-20-9)13(19)11-8-10(12(14)15)16-17-11/h8-9,12H,2-7H2,1H3,(H,16,17).
What are the key properties of 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 121495548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).