1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine

C19H28N4O2 — CID 19625954

IUPAC1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc(OC)c(CN3CCOCC3)c2)c(C)n1
InChIInChI=1S/C19H28N4O2/c1-4-23-14-18(15(2)21-23)20-12-16-5-6-19(24-3)17(11-16)13-22-7-9-25-10-8-22/h5-6,11,14,20H,4,7-10,12-13H2,1-3H3
InChIKeyYJHQSXPJDYJMBO-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.66
Rot. Bonds7

About 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine

1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine (PubChem CID 19625954) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine
PubChem CID19625954
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc(OC)c(CN3CCOCC3)c2)c(C)n1
InChIInChI=1S/C19H28N4O2/c1-4-23-14-18(15(2)21-23)20-12-16-5-6-19(24-3)17(11-16)13-22-7-9-25-10-8-22/h5-6,11,14,20H,4,7-10,12-13H2,1-3H3
InChIKeyYJHQSXPJDYJMBO-UHFFFAOYSA-N
XLogP2.66
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine (CID 19625954) is 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine is CCn1cc(NCc2ccc(OC)c(CN3CCOCC3)c2)c(C)n1.
What is the InChIKey of 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine?
The InChIKey is YJHQSXPJDYJMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-23-14-18(15(2)21-23)20-12-16-5-6-19(24-3)17(11-16)13-22-7-9-25-10-8-22/h5-6,11,14,20H,4,7-10,12-13H2,1-3H3.
What are the key properties of 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine?
1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine has a molecular weight of 344.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine is sourced from PubChem (CID 19625954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).