1-(4,4-difluorocyclohexyl)pyrazol-3-amine

C9H13F2N3 — CID 156566013

IUPAC1-(4,4-difluorocyclohexyl)pyrazol-3-amine
SMILESNc1ccn(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H13F2N3/c10-9(11)4-1-7(2-5-9)14-6-3-8(12)13-14/h3,6-7H,1-2,4-5H2,(H2,12,13)
InChIKeyGUNURHPSIOZXMI-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.22
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)pyrazol-3-amine

1-(4,4-difluorocyclohexyl)pyrazol-3-amine (PubChem CID 156566013) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)pyrazol-3-amine
PubChem CID156566013
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name1-(4,4-difluorocyclohexyl)pyrazol-3-amine
SMILESNc1ccn(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H13F2N3/c10-9(11)4-1-7(2-5-9)14-6-3-8(12)13-14/h3,6-7H,1-2,4-5H2,(H2,12,13)
InChIKeyGUNURHPSIOZXMI-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-Cyclohexyl-1H-pyrazol-5-amine
CID 77060
2-Piperidin-4-yl-2H-pyrazol-3-ylamine
CID 649859
1-cyclopentyl-1H-pyrazol-5-amine
CID 1079792
1-(propan-2-yl)-1H-pyrazol-3-amine
CID 19576797
1-propyl-1H-pyrazol-3-amine
CID 7017771
1-cyclohexyl-1H-pyrazol-3-amine
CID 12486716
1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19576777
1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622830
1-(2-fluoroethyl)-1H-pyrazol-5-amine
CID 21904553
1-(2,2-difluoroethyl)-1H-pyrazol-5-amine
CID 25247695
1-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 50896592

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)pyrazol-3-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)pyrazol-3-amine (CID 156566013) is 1-(4,4-difluorocyclohexyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)pyrazol-3-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)pyrazol-3-amine is Nc1ccn(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)pyrazol-3-amine?
The InChIKey is GUNURHPSIOZXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-9(11)4-1-7(2-5-9)14-6-3-8(12)13-14/h3,6-7H,1-2,4-5H2,(H2,12,13).
What are the key properties of 1-(4,4-difluorocyclohexyl)pyrazol-3-amine?
1-(4,4-difluorocyclohexyl)pyrazol-3-amine has a molecular weight of 201.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)pyrazol-3-amine is sourced from PubChem (CID 156566013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).