5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine

C15H22N4 — CID 75393147

IUPAC5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine
SMILESCCc1c(NCc2cccnc2)cnn1CC(C)C
InChIInChI=1S/C15H22N4/c1-4-15-14(10-18-19(15)11-12(2)3)17-9-13-6-5-7-16-8-13/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyQBGYNZAFFVJDQF-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.11
Rot. Bonds6

About 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine

5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine (PubChem CID 75393147) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine
PubChem CID75393147
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine
SMILESCCc1c(NCc2cccnc2)cnn1CC(C)C
InChIInChI=1S/C15H22N4/c1-4-15-14(10-18-19(15)11-12(2)3)17-9-13-6-5-7-16-8-13/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyQBGYNZAFFVJDQF-UHFFFAOYSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine (CID 75393147) is 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine is CCc1c(NCc2cccnc2)cnn1CC(C)C.
What is the InChIKey of 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine?
The InChIKey is QBGYNZAFFVJDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-15-14(10-18-19(15)11-12(2)3)17-9-13-6-5-7-16-8-13/h5-8,10,12,17H,4,9,11H2,1-3H3.
What are the key properties of 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine?
5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine has a molecular weight of 258.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 75393147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).