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

C9H15F2N3O — CID 103731426

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCc1n[nH]c(C)c1CNCC(O)C(F)F
InChIInChI=1S/C9H15F2N3O/c1-5-7(6(2)14-13-5)3-12-4-8(15)9(10)11/h8-9,12,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyWXGOUFMXKLWANI-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.74
Rot. Bonds5

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

3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103731426) 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]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103731426
Molecular FormulaC9H15F2N3O
Molecular Weight219.23 g/mol
Exact Mass219.12
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCc1n[nH]c(C)c1CNCC(O)C(F)F
InChIInChI=1S/C9H15F2N3O/c1-5-7(6(2)14-13-5)3-12-4-8(15)9(10)11/h8-9,12,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyWXGOUFMXKLWANI-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

(2S,3S)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1,1-trifluoro-4-methylpentan-2-ol
CID 126833092
2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol
CID 141194076
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
1,1,1-Trifluoro-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 78971654
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79038800
2-(2,2-difluoroethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103081053
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529531
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 103625340
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
CID 103726335

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (CID 103731426) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol is Cc1n[nH]c(C)c1CNCC(O)C(F)F.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is WXGOUFMXKLWANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-5-7(6(2)14-13-5)3-12-4-8(15)9(10)11/h8-9,12,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,1-difluoropropan-2-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]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).