1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine

C15H26IN3 — CID 65090132

IUPAC1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCCC(C(C)(C)C)CC2)c(N)c1I
InChIInChI=1S/C15H26IN3/c1-10-13(16)14(17)19(18-10)12-7-5-6-11(8-9-12)15(2,3)4/h11-12H,5-9,17H2,1-4H3
InChIKeyKCUGDWOLBAKUID-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.55
Rot. Bonds1

About 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine

1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine (PubChem CID 65090132) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine
PubChem CID65090132
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCCC(C(C)(C)C)CC2)c(N)c1I
InChIInChI=1S/C15H26IN3/c1-10-13(16)14(17)19(18-10)12-7-5-6-11(8-9-12)15(2,3)4/h11-12H,5-9,17H2,1-4H3
InChIKeyKCUGDWOLBAKUID-UHFFFAOYSA-N
XLogP4.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine?
The IUPAC name of 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine (CID 65090132) is 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine.
What is the SMILES notation for 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine?
The canonical SMILES for 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine is Cc1nn(C2CCCC(C(C)(C)C)CC2)c(N)c1I.
What is the InChIKey of 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine?
The InChIKey is KCUGDWOLBAKUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26IN3/c1-10-13(16)14(17)19(18-10)12-7-5-6-11(8-9-12)15(2,3)4/h11-12H,5-9,17H2,1-4H3.
What are the key properties of 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine?
1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine has a molecular weight of 375.30 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine is sourced from PubChem (CID 65090132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).