N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine

C16H22N4 — CID 117210831

IUPACN'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
SMILESCc1ccccc1-n1ncc(NCCN)c1C1CCC1
InChIInChI=1S/C16H22N4/c1-12-5-2-3-8-15(12)20-16(13-6-4-7-13)14(11-19-20)18-10-9-17/h2-3,5,8,11,13,18H,4,6-7,9-10,17H2,1H3
InChIKeyKBRBLBLLXPQEJT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.82
Rot. Bonds5

About N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine

N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117210831) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
PubChem CID117210831
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
SMILESCc1ccccc1-n1ncc(NCCN)c1C1CCC1
InChIInChI=1S/C16H22N4/c1-12-5-2-3-8-15(12)20-16(13-6-4-7-13)14(11-19-20)18-10-9-17/h2-3,5,8,11,13,18H,4,6-7,9-10,17H2,1H3
InChIKeyKBRBLBLLXPQEJT-UHFFFAOYSA-N
XLogP2.82
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine (CID 117210831) is N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine is Cc1ccccc1-n1ncc(NCCN)c1C1CCC1.
What is the InChIKey of N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is KBRBLBLLXPQEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-5-2-3-8-15(12)20-16(13-6-4-7-13)14(11-19-20)18-10-9-17/h2-3,5,8,11,13,18H,4,6-7,9-10,17H2,1H3.
What are the key properties of N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine?
N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).