4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine

C14H25N3 — CID 81014822

IUPAC4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine
SMILESCCCn1nccc1C1CC(CC)CCC1N
InChIInChI=1S/C14H25N3/c1-3-9-17-14(7-8-16-17)12-10-11(4-2)5-6-13(12)15/h7-8,11-13H,3-6,9-10,15H2,1-2H3
InChIKeySVRUVKJXNFRFLR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.91
Rot. Bonds4

About 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine

4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine (PubChem CID 81014822) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine
PubChem CID81014822
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine
SMILESCCCn1nccc1C1CC(CC)CCC1N
InChIInChI=1S/C14H25N3/c1-3-9-17-14(7-8-16-17)12-10-11(4-2)5-6-13(12)15/h7-8,11-13H,3-6,9-10,15H2,1-2H3
InChIKeySVRUVKJXNFRFLR-UHFFFAOYSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine (CID 81014822) is 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine is CCCn1nccc1C1CC(CC)CCC1N.
What is the InChIKey of 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine?
The InChIKey is SVRUVKJXNFRFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-9-17-14(7-8-16-17)12-10-11(4-2)5-6-13(12)15/h7-8,11-13H,3-6,9-10,15H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine?
4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 81014822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).