N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C16H24N4 — CID 66440161

IUPACN-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)cnn1-c1cc(C)ccn1
InChIInChI=1S/C16H24N4/c1-6-14-13(10-18-16(3,4)5)11-19-20(14)15-9-12(2)7-8-17-15/h7-9,11,18H,6,10H2,1-5H3
InChIKeyJUGFZBMNZUCCQE-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.03
Rot. Bonds4

About N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66440161) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66440161
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)cnn1-c1cc(C)ccn1
InChIInChI=1S/C16H24N4/c1-6-14-13(10-18-16(3,4)5)11-19-20(14)15-9-12(2)7-8-17-15/h7-9,11,18H,6,10H2,1-5H3
InChIKeyJUGFZBMNZUCCQE-UHFFFAOYSA-N
XLogP3.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66440161) is N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1c(CNC(C)(C)C)cnn1-c1cc(C)ccn1.
What is the InChIKey of N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JUGFZBMNZUCCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-6-14-13(10-18-16(3,4)5)11-19-20(14)15-9-12(2)7-8-17-15/h7-9,11,18H,6,10H2,1-5H3.
What are the key properties of N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66440161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).