N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

C15H21N3 — CID 62902276

IUPACN-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1ccc(C(C)Nc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C15H21N3/c1-11(2)18-10-15(9-16-18)17-13(4)14-7-5-12(3)6-8-14/h5-11,13,17H,1-4H3
InChIKeyLZXMGFWOACIFLH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.95
Rot. Bonds4

About N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 62902276) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID62902276
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1ccc(C(C)Nc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C15H21N3/c1-11(2)18-10-15(9-16-18)17-13(4)14-7-5-12(3)6-8-14/h5-11,13,17H,1-4H3
InChIKeyLZXMGFWOACIFLH-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (CID 62902276) is N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is Cc1ccc(C(C)Nc2cnn(C(C)C)c2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is LZXMGFWOACIFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)18-10-15(9-16-18)17-13(4)14-7-5-12(3)6-8-14/h5-11,13,17H,1-4H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62902276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).