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

C15H27N3 — CID 65090035

IUPAC1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine
SMILESCc1cnn(C2CCCC(C(C)(C)C)CC2)c1N
InChIInChI=1S/C15H27N3/c1-11-10-17-18(14(11)16)13-7-5-6-12(8-9-13)15(2,3)4/h10,12-13H,5-9,16H2,1-4H3
InChIKeyUKPMLUDCZXZRLD-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.94
Rot. Bonds1

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

1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine (PubChem CID 65090035) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine
PubChem CID65090035
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine
SMILESCc1cnn(C2CCCC(C(C)(C)C)CC2)c1N
InChIInChI=1S/C15H27N3/c1-11-10-17-18(14(11)16)13-7-5-6-12(8-9-13)15(2,3)4/h10,12-13H,5-9,16H2,1-4H3
InChIKeyUKPMLUDCZXZRLD-UHFFFAOYSA-N
XLogP3.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754079
4-Methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758209
4-Methyl-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
CID 116535090
1-(1-Cyclopropylethyl)-4-methyl-1H-pyrazol-5-amine
CID 6484424
1-(4-Tert-butylcyclohexyl)-1H-pyrazol-5-amine
CID 16792344
5-Amino-1-(1-cyclopentylethyl)pyrazole-4-carbonitrile
CID 69582778
5-Amino-1-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4-carbonitrile
CID 69747541
1-Methyl-4-undecan-5-ylpyrazol-5-amine
CID 134178085
Ethane;1-hexyl-4-methylpyrazol-5-amine
CID 145563691
1,4-Diisopropyl-1H-pyrazol-5-amine
CID 153292465
1-Methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine
CID 154930465
5-amino-N'-butan-2-yl-1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole-4-carboximidamide
CID 156130201

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine?
The IUPAC name of 1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine (CID 65090035) is 1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine?
The canonical SMILES for 1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine is Cc1cnn(C2CCCC(C(C)(C)C)CC2)c1N.
What is the InChIKey of 1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine?
The InChIKey is UKPMLUDCZXZRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11-10-17-18(14(11)16)13-7-5-6-12(8-9-13)15(2,3)4/h10,12-13H,5-9,16H2,1-4H3.
What are the key properties of 1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine?
1-(4-tert-butylcycloheptyl)-4-methylpyrazol-5-amine has a molecular weight of 249.40 g/mol, XLogP of 3.94, 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-methylpyrazol-5-amine is sourced from PubChem (CID 65090035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).