1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine

C14H25N3 — CID 105423541

IUPAC1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine
SMILESCC(N)Cc1c(C2CCCCCC2)cnn1C
InChIInChI=1S/C14H25N3/c1-11(15)9-14-13(10-16-17(14)2)12-7-5-3-4-6-8-12/h10-12H,3-9,15H2,1-2H3
InChIKeyKLMKVEZRVICSLD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds3

About 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine

1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine (PubChem CID 105423541) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine
PubChem CID105423541
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine
SMILESCC(N)Cc1c(C2CCCCCC2)cnn1C
InChIInChI=1S/C14H25N3/c1-11(15)9-14-13(10-16-17(14)2)12-7-5-3-4-6-8-12/h10-12H,3-9,15H2,1-2H3
InChIKeyKLMKVEZRVICSLD-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine (CID 105423541) is 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine is CC(N)Cc1c(C2CCCCCC2)cnn1C.
What is the InChIKey of 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine?
The InChIKey is KLMKVEZRVICSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(15)9-14-13(10-16-17(14)2)12-7-5-3-4-6-8-12/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine?
1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine is sourced from PubChem (CID 105423541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).