1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine

C7H11F2N3 — CID 103516463

IUPAC1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)C(F)F)cn1
InChIInChI=1S/C7H11F2N3/c1-12-4-5(3-11-12)2-6(10)7(8)9/h3-4,6-7H,2,10H2,1H3
InChIKeyZORNAIGLZSKHMV-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.56
Rot. Bonds3

About 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine

1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 103516463) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID103516463
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)C(F)F)cn1
InChIInChI=1S/C7H11F2N3/c1-12-4-5(3-11-12)2-6(10)7(8)9/h3-4,6-7H,2,10H2,1H3
InChIKeyZORNAIGLZSKHMV-UHFFFAOYSA-N
XLogP0.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 79954244
3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 116718521
1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126436
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
1-(1-methylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148190
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine (CID 103516463) is 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine is Cn1cc(CC(N)C(F)F)cn1.
What is the InChIKey of 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is ZORNAIGLZSKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-12-4-5(3-11-12)2-6(10)7(8)9/h3-4,6-7H,2,10H2,1H3.
What are the key properties of 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine?
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 175.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 103516463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).