3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol

C9H15F2N3O — CID 104857875

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1n[nH]c(C)c1CNCC(F)(F)CO
InChIInChI=1S/C9H15F2N3O/c1-6-8(7(2)14-13-6)3-12-4-9(10,11)5-15/h12,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyZYFIRWZHNCFFNZ-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.74
Rot. Bonds5

About 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 104857875) has the molecular formula C9H15F2N3O and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID104857875
Molecular FormulaC9H15F2N3O
Molecular Weight219.23 g/mol
Exact Mass219.12
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1n[nH]c(C)c1CNCC(F)(F)CO
InChIInChI=1S/C9H15F2N3O/c1-6-8(7(2)14-13-6)3-12-4-9(10,11)5-15/h12,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyZYFIRWZHNCFFNZ-UHFFFAOYSA-N
XLogP0.74
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
CID 139060191
(2S,3S)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1,1-trifluoro-4-methylpentan-2-ol
CID 126833092
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 134440628
3,3,3-Trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol
CID 135191335
2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol
CID 141194076
N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 144505632
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 43644725
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55151329
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62326527
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226413
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 64975150
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79038800

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol (CID 104857875) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol is Cc1n[nH]c(C)c1CNCC(F)(F)CO.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is ZYFIRWZHNCFFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-6-8(7(2)14-13-6)3-12-4-9(10,11)5-15/h12,15H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 219.23 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).