1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine

C16H19N5 — CID 106757614

IUPAC1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
SMILESCC(Nc1cnn(Cc2ccccc2)c1)c1ccnn1C
InChIInChI=1S/C16H19N5/c1-13(16-8-9-17-20(16)2)19-15-10-18-21(12-15)11-14-6-4-3-5-7-14/h3-10,12-13,19H,11H2,1-2H3
InChIKeyOENJRAWMMPVIHV-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.84
Rot. Bonds5

About 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine

1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine (PubChem CID 106757614) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
PubChem CID106757614
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
SMILESCC(Nc1cnn(Cc2ccccc2)c1)c1ccnn1C
InChIInChI=1S/C16H19N5/c1-13(16-8-9-17-20(16)2)19-15-10-18-21(12-15)11-14-6-4-3-5-7-14/h3-10,12-13,19H,11H2,1-2H3
InChIKeyOENJRAWMMPVIHV-UHFFFAOYSA-N
XLogP2.84
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 106756900
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CID 75507076
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
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CID 110452887

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine (CID 106757614) is 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine is CC(Nc1cnn(Cc2ccccc2)c1)c1ccnn1C.
What is the InChIKey of 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine?
The InChIKey is OENJRAWMMPVIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-13(16-8-9-17-20(16)2)19-15-10-18-21(12-15)11-14-6-4-3-5-7-14/h3-10,12-13,19H,11H2,1-2H3.
What are the key properties of 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine?
1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 106757614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).