3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine

C14H25N3 — CID 113490620

IUPAC3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1c(CC2CCCCC2)nn(C)c1N
InChIInChI=1S/C14H25N3/c1-10(2)13-12(16-17(3)14(13)15)9-11-7-5-4-6-8-11/h10-11H,4-9,15H2,1-3H3
InChIKeyDPDAWYNZZUYYDD-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.25
Rot. Bonds3

About 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine

3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine (PubChem CID 113490620) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine
PubChem CID113490620
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1c(CC2CCCCC2)nn(C)c1N
InChIInChI=1S/C14H25N3/c1-10(2)13-12(16-17(3)14(13)15)9-11-7-5-4-6-8-11/h10-11H,4-9,15H2,1-3H3
InChIKeyDPDAWYNZZUYYDD-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine?
The IUPAC name of 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine (CID 113490620) is 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine is CC(C)c1c(CC2CCCCC2)nn(C)c1N.
What is the InChIKey of 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine?
The InChIKey is DPDAWYNZZUYYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)13-12(16-17(3)14(13)15)9-11-7-5-4-6-8-11/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine?
3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine has a molecular weight of 235.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1-methyl-4-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 113490620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).