[4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone

C17H22N4O3 — CID 122135369

IUPAC[4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1NCCn1cccn1
InChIInChI=1S/C17H22N4O3/c1-23-16-4-3-14(17(22)20-9-11-24-12-10-20)13-15(16)18-6-8-21-7-2-5-19-21/h2-5,7,13,18H,6,8-12H2,1H3
InChIKeyKHDPCOHTRVCDTM-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.48
Rot. Bonds6

About [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone

[4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone (PubChem CID 122135369) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone
PubChem CID122135369
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1NCCn1cccn1
InChIInChI=1S/C17H22N4O3/c1-23-16-4-3-14(17(22)20-9-11-24-12-10-20)13-15(16)18-6-8-21-7-2-5-19-21/h2-5,7,13,18H,6,8-12H2,1H3
InChIKeyKHDPCOHTRVCDTM-UHFFFAOYSA-N
XLogP1.48
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[6-(2-pyrazol-1-ylethylamino)-3-pyridinyl]methanone
CID 134700155
[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone
CID 75448638
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 60600662
[4-methoxy-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]phenyl]-morpholin-4-ylmethanone
CID 75447304
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
3-amino-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119950750
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylbenzamide
CID 50875897
2-(4-aminophenyl)-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 119755689
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374
(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 91641888

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone (CID 122135369) is [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone is COc1ccc(C(=O)N2CCOCC2)cc1NCCn1cccn1.
What is the InChIKey of [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone?
The InChIKey is KHDPCOHTRVCDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-16-4-3-14(17(22)20-9-11-24-12-10-20)13-15(16)18-6-8-21-7-2-5-19-21/h2-5,7,13,18H,6,8-12H2,1H3.
What are the key properties of [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone?
[4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone has a molecular weight of 330.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 122135369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).