1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine

C13H17N3O — CID 83217921

IUPAC1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine
SMILESNc1cn(C2CCCCC2)nc1-c1ccco1
InChIInChI=1S/C13H17N3O/c14-11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-17-12/h4,7-10H,1-3,5-6,14H2
InChIKeyTYVYEEIHAJCSIY-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.23
Rot. Bonds2

About 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine

1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine (PubChem CID 83217921) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine
PubChem CID83217921
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine
SMILESNc1cn(C2CCCCC2)nc1-c1ccco1
InChIInChI=1S/C13H17N3O/c14-11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-17-12/h4,7-10H,1-3,5-6,14H2
InChIKeyTYVYEEIHAJCSIY-UHFFFAOYSA-N
XLogP3.23
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3803348
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CID 155894714
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CID 175114357
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CID 53248733
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CID 16227251
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CID 43141304
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine (CID 83217921) is 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine is Nc1cn(C2CCCCC2)nc1-c1ccco1.
What is the InChIKey of 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine?
The InChIKey is TYVYEEIHAJCSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-11-9-16(10-5-2-1-3-6-10)15-13(11)12-7-4-8-17-12/h4,7-10H,1-3,5-6,14H2.
What are the key properties of 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine?
1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83217921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).