5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide

C14H21F2N3O3 — CID 136564873

IUPAC5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC(CCO)C2CCOCC2)cc1C(F)F
InChIInChI=1S/C14H21F2N3O3/c1-19-12(13(15)16)8-11(18-19)14(21)17-10(2-5-20)9-3-6-22-7-4-9/h8-10,13,20H,2-7H2,1H3,(H,17,21)
InChIKeyUOZGSEWEGAJPHC-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.27
Rot. Bonds6

About 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide

5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide (PubChem CID 136564873) has the molecular formula C14H21F2N3O3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide
PubChem CID136564873
Molecular FormulaC14H21F2N3O3
Molecular Weight317.34 g/mol
Exact Mass317.16
IUPAC Name5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC(CCO)C2CCOCC2)cc1C(F)F
InChIInChI=1S/C14H21F2N3O3/c1-19-12(13(15)16)8-11(18-19)14(21)17-10(2-5-20)9-3-6-22-7-4-9/h8-10,13,20H,2-7H2,1H3,(H,17,21)
InChIKeyUOZGSEWEGAJPHC-UHFFFAOYSA-N
XLogP1.27
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4,5-difluoro-N-[3-hydroxy-1-(oxan-4-yl)propyl]benzamide
CID 136531595
5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide
CID 136586511
N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 119615000
5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide
CID 136586301
N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
CID 136564730
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119213991
N-(1-cyclopropyl-3-hydroxypropyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 166249987
5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 122056821
5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 136586319
5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid
CID 122054901
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide (CID 136564873) is 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC(CCO)C2CCOCC2)cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is UOZGSEWEGAJPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O3/c1-19-12(13(15)16)8-11(18-19)14(21)17-10(2-5-20)9-3-6-22-7-4-9/h8-10,13,20H,2-7H2,1H3,(H,17,21).
What are the key properties of 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide?
5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136564873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).