3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile

C7H8F2N4 — CID 138046232

IUPAC3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile
SMILESCC(F)(F)Cn1cc(C#N)c(N)n1
InChIInChI=1S/C7H8F2N4/c1-7(8,9)4-13-3-5(2-10)6(11)12-13/h3H,4H2,1H3,(H2,11,12)
InChIKeyJQNXOIGNTMSCBX-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.99
Rot. Bonds2

About 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile

3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile (PubChem CID 138046232) has the molecular formula C7H8F2N4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile
PubChem CID138046232
Molecular FormulaC7H8F2N4
Molecular Weight186.17 g/mol
Exact Mass186.07
IUPAC Name3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile
SMILESCC(F)(F)Cn1cc(C#N)c(N)n1
InChIInChI=1S/C7H8F2N4/c1-7(8,9)4-13-3-5(2-10)6(11)12-13/h3H,4H2,1H3,(H2,11,12)
InChIKeyJQNXOIGNTMSCBX-UHFFFAOYSA-N
XLogP0.99
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-methyl-1H-pyrazole-4-carbonitrile
CID 219740
3-Amino-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
CID 276228
5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
CID 2797454
N'-(4-cyano-1-methyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide
CID 9581717
1-Methyl-3-amino-4-cyanopyrazole
CID 10654213
1-Ethyl-4-methyl-1H-pyrazol-5-amine
CID 22456658
5-amino-1-cyclopropyl-1H-pyrazole-4-carbonitrile
CID 42609129
4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 45602148
1-(2,2-difluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 45602158
4-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine
CID 45602180
2-(3-amino-4-methyl-1H-pyrazol-1-yl)acetonitrile
CID 45602183
1,4-dimethyl-1H-pyrazol-3-amine hydrochloride
CID 69704255

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile (CID 138046232) is 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile is CC(F)(F)Cn1cc(C#N)c(N)n1.
What is the InChIKey of 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile?
The InChIKey is JQNXOIGNTMSCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4/c1-7(8,9)4-13-3-5(2-10)6(11)12-13/h3H,4H2,1H3,(H2,11,12).
What are the key properties of 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile?
3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-difluoropropyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 138046232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).