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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Related Compounds

2-[4-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-1-(3-methyl-2-buten-1-yl)-2-piperazinyl]ethanol
CID 16192215
(E)-1-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine
CID 6880447
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
N'-methyl-N'-[[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671035
3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolamine
CID 2110942
1-{2-methoxy-5-[(E)-(2-phenylhydrazinylidene)methyl]benzyl}-3,5-dimethyl-4-nitro-1H-pyrazole
CID 9676959
5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole
CID 10083742
1-(2-methoxyethyl)-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 16190632
1-[1-(2-methoxyethyl)piperidin-3-yl]-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16191059
2-{1-isopropyl-4-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-2-piperazinyl}ethanol
CID 16191605
1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-(tetrahydro-2-furanylmethyl)methanamine
CID 16192021

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).