3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine

C20H29N3 — CID 117496362

IUPAC3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(C3CCC(C(C)(C)C)CC3)c2)cc1N
InChIInChI=1S/C20H29N3/c1-20(2,3)17-10-8-14(9-11-17)15-6-5-7-16(12-15)18-13-19(21)23(4)22-18/h5-7,12-14,17H,8-11,21H2,1-4H3
InChIKeyISVSQHVEFOJQOE-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.99
Rot. Bonds2

About 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine

3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117496362) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117496362
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(C3CCC(C(C)(C)C)CC3)c2)cc1N
InChIInChI=1S/C20H29N3/c1-20(2,3)17-10-8-14(9-11-17)15-6-5-7-16(12-15)18-13-19(21)23(4)22-18/h5-7,12-14,17H,8-11,21H2,1-4H3
InChIKeyISVSQHVEFOJQOE-UHFFFAOYSA-N
XLogP4.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine (CID 117496362) is 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2cccc(C3CCC(C(C)(C)C)CC3)c2)cc1N.
What is the InChIKey of 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is ISVSQHVEFOJQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-20(2,3)17-10-8-14(9-11-17)15-6-5-7-16(12-15)18-13-19(21)23(4)22-18/h5-7,12-14,17H,8-11,21H2,1-4H3.
What are the key properties of 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 311.47 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylcyclohexyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117496362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).