1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine

C18H27N3 — CID 43336708

IUPAC1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine
SMILESCC(C)CCc1nn(C)c(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27N3/c1-12(2)6-11-16-17(18(19)21(5)20-16)15-9-7-14(8-10-15)13(3)4/h7-10,12-13H,6,11,19H2,1-5H3
InChIKeyMCCKZRXGFCPNCG-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.38
Rot. Bonds5

About 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine

1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine (PubChem CID 43336708) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine
PubChem CID43336708
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine
SMILESCC(C)CCc1nn(C)c(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27N3/c1-12(2)6-11-16-17(18(19)21(5)20-16)15-9-7-14(8-10-15)13(3)4/h7-10,12-13H,6,11,19H2,1-5H3
InChIKeyMCCKZRXGFCPNCG-UHFFFAOYSA-N
XLogP4.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine (CID 43336708) is 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine is CC(C)CCc1nn(C)c(N)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine?
The InChIKey is MCCKZRXGFCPNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)6-11-16-17(18(19)21(5)20-16)15-9-7-14(8-10-15)13(3)4/h7-10,12-13H,6,11,19H2,1-5H3.
What are the key properties of 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine?
1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine is sourced from PubChem (CID 43336708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).