[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine

C7H11F2N3 — CID 62956158

IUPAC[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C(F)F)c(C)c1CN
InChIInChI=1S/C7H11F2N3/c1-4-6(3-10)5(2)12(11-4)7(8)9/h7H,3,10H2,1-2H3
InChIKeyYWNGZOLJUJKSES-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.35
Rot. Bonds2

About [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine

[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine (PubChem CID 62956158) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine
PubChem CID62956158
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C(F)F)c(C)c1CN
InChIInChI=1S/C7H11F2N3/c1-4-6(3-10)5(2)12(11-4)7(8)9/h7H,3,10H2,1-2H3
InChIKeyYWNGZOLJUJKSES-UHFFFAOYSA-N
XLogP1.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 61270347
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119608489
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine
CID 23005875
[(2R)-1-amino-1-oxopropan-2-yl] 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 97314627
4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole
CID 176644458
(5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-yl)methanamine
CID 117124496
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 99604016
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119575428
1-(difluoromethyl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 62955988
(3S,4S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951616
2-cyclopropyl-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119213672
(2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpentanoic acid
CID 97324057

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine (CID 62956158) is [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine is Cc1nn(C(F)F)c(C)c1CN.
What is the InChIKey of [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The InChIKey is YWNGZOLJUJKSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-4-6(3-10)5(2)12(11-4)7(8)9/h7H,3,10H2,1-2H3.
What are the key properties of [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine?
[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine has a molecular weight of 175.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 62956158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).