1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea

C24H27N5O3 — CID 86886425

IUPAC1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
SMILESO=C(NCC(C(=O)N1CCOCC1)c1ccccc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H27N5O3/c30-23(28-11-13-32-14-12-28)22(20-9-5-2-6-10-20)16-25-24(31)27-21-15-26-29(18-21)17-19-7-3-1-4-8-19/h1-10,15,18,22H,11-14,16-17H2,(H2,25,27,31)
InChIKeyASVJTQKWQOOFDU-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.70
Rot. Bonds7

About 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea

1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea (PubChem CID 86886425) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
PubChem CID86886425
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
SMILESO=C(NCC(C(=O)N1CCOCC1)c1ccccc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H27N5O3/c30-23(28-11-13-32-14-12-28)22(20-9-5-2-6-10-20)16-25-24(31)27-21-15-26-29(18-21)17-19-7-3-1-4-8-19/h1-10,15,18,22H,11-14,16-17H2,(H2,25,27,31)
InChIKeyASVJTQKWQOOFDU-UHFFFAOYSA-N
XLogP2.70
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride
CID 119951973
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
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1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea
CID 86888650
2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine
CID 111200226
1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886318
1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
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1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567
3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea (CID 86886425) is 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea is O=C(NCC(C(=O)N1CCOCC1)c1ccccc1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The InChIKey is ASVJTQKWQOOFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-23(28-11-13-32-14-12-28)22(20-9-5-2-6-10-20)16-25-24(31)27-21-15-26-29(18-21)17-19-7-3-1-4-8-19/h1-10,15,18,22H,11-14,16-17H2,(H2,25,27,31).
What are the key properties of 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea has a molecular weight of 433.51 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea is sourced from PubChem (CID 86886425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).