5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile

C7H7F3N4 — CID 175428390

IUPAC5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(CF)C(F)F)c1N
InChIInChI=1S/C7H7F3N4/c8-1-5(6(9)10)14-7(12)4(2-11)3-13-14/h3,5-6H,1,12H2
InChIKeyZCVNYFUBFQZNFP-UHFFFAOYSA-N
MW204.16 g/mol
LogP1.11
Rot. Bonds3

About 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile

5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile (PubChem CID 175428390) has the molecular formula C7H7F3N4 and a molecular weight of 204.16 g/mol. Its IUPAC name is 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile
PubChem CID175428390
Molecular FormulaC7H7F3N4
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(CF)C(F)F)c1N
InChIInChI=1S/C7H7F3N4/c8-1-5(6(9)10)14-7(12)4(2-11)3-13-14/h3,5-6H,1,12H2
InChIKeyZCVNYFUBFQZNFP-UHFFFAOYSA-N
XLogP1.11
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile (CID 175428390) is 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile is N#Cc1cnn(C(CF)C(F)F)c1N.
What is the InChIKey of 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile?
The InChIKey is ZCVNYFUBFQZNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4/c8-1-5(6(9)10)14-7(12)4(2-11)3-13-14/h3,5-6H,1,12H2.
What are the key properties of 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile has a molecular weight of 204.16 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,1,3-trifluoropropan-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 175428390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).