(1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine

C19H28N4O — CID 97232038

IUPAC(1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC1CCC(Oc2cc(CN[C@@H](C)c3cnn(C)c3)ccn2)CC1
InChIInChI=1S/C19H28N4O/c1-14-4-6-18(7-5-14)24-19-10-16(8-9-20-19)11-21-15(2)17-12-22-23(3)13-17/h8-10,12-15,18,21H,4-7,11H2,1-3H3/t14?,15-,18?/m0/s1
InChIKeyZIZLXELUXWOYOQ-CSLYMUCUSA-N
MW328.46 g/mol
LogP3.62
Rot. Bonds6

About (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine

(1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 97232038) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID97232038
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC1CCC(Oc2cc(CN[C@@H](C)c3cnn(C)c3)ccn2)CC1
InChIInChI=1S/C19H28N4O/c1-14-4-6-18(7-5-14)24-19-10-16(8-9-20-19)11-21-15(2)17-12-22-23(3)13-17/h8-10,12-15,18,21H,4-7,11H2,1-3H3/t14?,15-,18?/m0/s1
InChIKeyZIZLXELUXWOYOQ-CSLYMUCUSA-N
XLogP3.62
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine (CID 97232038) is (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine is CC1CCC(Oc2cc(CN[C@@H](C)c3cnn(C)c3)ccn2)CC1.
What is the InChIKey of (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is ZIZLXELUXWOYOQ-CSLYMUCUSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-4-6-18(7-5-14)24-19-10-16(8-9-20-19)11-21-15(2)17-12-22-23(3)13-17/h8-10,12-15,18,21H,4-7,11H2,1-3H3/t14?,15-,18?/m0/s1.
What are the key properties of (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
(1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 328.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 97232038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).