4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine

C14H25N3 — CID 65091726

IUPAC4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine
SMILESCCCC1CCCC(n2ncc(C)c2N)CC1
InChIInChI=1S/C14H25N3/c1-3-5-12-6-4-7-13(9-8-12)17-14(15)11(2)10-16-17/h10,12-13H,3-9,15H2,1-2H3
InChIKeyLRNLMYXNZRTYOO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.70
Rot. Bonds3

About 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine

4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine (PubChem CID 65091726) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine
PubChem CID65091726
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine
SMILESCCCC1CCCC(n2ncc(C)c2N)CC1
InChIInChI=1S/C14H25N3/c1-3-5-12-6-4-7-13(9-8-12)17-14(15)11(2)10-16-17/h10,12-13H,3-9,15H2,1-2H3
InChIKeyLRNLMYXNZRTYOO-UHFFFAOYSA-N
XLogP3.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine?
The IUPAC name of 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine (CID 65091726) is 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine is CCCC1CCCC(n2ncc(C)c2N)CC1.
What is the InChIKey of 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine?
The InChIKey is LRNLMYXNZRTYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-12-6-4-7-13(9-8-12)17-14(15)11(2)10-16-17/h10,12-13H,3-9,15H2,1-2H3.
What are the key properties of 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine?
4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine has a molecular weight of 235.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propylcycloheptyl)pyrazol-5-amine is sourced from PubChem (CID 65091726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).