1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea

C23H31N5O4 — CID 146127413

IUPAC1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea
SMILESCN(CC1CCCOC1c1ccccc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C23H31N5O4/c1-26(15-19-8-5-11-32-22(19)18-6-3-2-4-7-18)23(30)25-20-14-24-28(16-20)17-21(29)27-9-12-31-13-10-27/h2-4,6-7,14,16,19,22H,5,8-13,15,17H2,1H3,(H,25,30)
InChIKeyNQSJURZWKWYQKE-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.37
Rot. Bonds6

About 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea

1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea (PubChem CID 146127413) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea
PubChem CID146127413
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea
SMILESCN(CC1CCCOC1c1ccccc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C23H31N5O4/c1-26(15-19-8-5-11-32-22(19)18-6-3-2-4-7-18)23(30)25-20-14-24-28(16-20)17-21(29)27-9-12-31-13-10-27/h2-4,6-7,14,16,19,22H,5,8-13,15,17H2,1H3,(H,25,30)
InChIKeyNQSJURZWKWYQKE-UHFFFAOYSA-N
XLogP2.37
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride
CID 119951973
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
1-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 119333469
1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone
CID 99633730
N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide
CID 127400528
N-[1-[2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenoxyacetamide
CID 26347978
1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
CID 19622291
1-[(1R)-1-(2-fluorophenyl)ethyl]-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567744
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate
CID 171315068
N-[1-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 178043641
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97010472

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea (CID 146127413) is 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea is CN(CC1CCCOC1c1ccccc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1.
What is the InChIKey of 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea?
The InChIKey is NQSJURZWKWYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-26(15-19-8-5-11-32-22(19)18-6-3-2-4-7-18)23(30)25-20-14-24-28(16-20)17-21(29)27-9-12-31-13-10-27/h2-4,6-7,14,16,19,22H,5,8-13,15,17H2,1H3,(H,25,30).
What are the key properties of 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea?
1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea has a molecular weight of 441.53 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-1-[(2-phenyloxan-3-yl)methyl]urea is sourced from PubChem (CID 146127413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).