5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile

C7H9FN4 — CID 84652987

IUPAC5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CCCF)c1N
InChIInChI=1S/C7H9FN4/c8-2-1-3-12-7(10)6(4-9)5-11-12/h5H,1-3,10H2
InChIKeyVGPOXUFOUSLENN-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.70
Rot. Bonds3

About 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile

5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile (PubChem CID 84652987) has the molecular formula C7H9FN4 and a molecular weight of 168.17 g/mol. Its IUPAC name is 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile
PubChem CID84652987
Molecular FormulaC7H9FN4
Molecular Weight168.17 g/mol
Exact Mass168.08
IUPAC Name5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CCCF)c1N
InChIInChI=1S/C7H9FN4/c8-2-1-3-12-7(10)6(4-9)5-11-12/h5H,1-3,10H2
InChIKeyVGPOXUFOUSLENN-UHFFFAOYSA-N
XLogP0.70
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-methyl-1H-pyrazole-4-carbonitrile
CID 219740
5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
CID 219852
3-Amino-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
CID 276228
5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
CID 2797454
5-amino-1-(cyclohexylmethyl)-1H-pyrazole-4-carbonitrile
CID 684453
N'-(4-cyano-1-methyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide
CID 9581717
1-Methyl-3-amino-4-cyanopyrazole
CID 10654213
1,4-Dimethyl-1H-pyrazol-5-amine
CID 12847948
1-Butyl-4-Methyl-1H-Pyrazol-5-Amine
CID 21455559
1-Ethyl-4-methyl-1H-pyrazol-5-amine
CID 22456658
1,4-dimethyl-1H-pyrazol-5-amine hydrochloride
CID 23330507
4-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 29060602

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile (CID 84652987) is 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile is N#Cc1cnn(CCCF)c1N.
What is the InChIKey of 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile?
The InChIKey is VGPOXUFOUSLENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4/c8-2-1-3-12-7(10)6(4-9)5-11-12/h5H,1-3,10H2.
What are the key properties of 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile?
5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile has a molecular weight of 168.17 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-fluoropropyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 84652987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).