1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea

C20H23N5O3 — CID 125165743

IUPAC1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea
SMILESCc1cc(C)n([C@@H](C)CNC(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)n1
InChIInChI=1S/C20H23N5O3/c1-11-8-12(2)25(23-11)13(3)10-21-20(28)22-14-4-7-16-17(9-14)19(27)24(18(16)26)15-5-6-15/h4,7-9,13,15H,5-6,10H2,1-3H3,(H2,21,22,28)/t13-/m0/s1
InChIKeyCDRFXNCRDDPBJD-ZDUSSCGKSA-N
MW381.44 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea

1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea (PubChem CID 125165743) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea
PubChem CID125165743
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea
SMILESCc1cc(C)n([C@@H](C)CNC(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)n1
InChIInChI=1S/C20H23N5O3/c1-11-8-12(2)25(23-11)13(3)10-21-20(28)22-14-4-7-16-17(9-14)19(27)24(18(16)26)15-5-6-15/h4,7-9,13,15H,5-6,10H2,1-3H3,(H2,21,22,28)/t13-/m0/s1
InChIKeyCDRFXNCRDDPBJD-ZDUSSCGKSA-N
XLogP2.64
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045
ethyl 4-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]carbamoylamino]benzoate
CID 125179536
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 108873904
1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 118793816
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
CID 108874139
1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]urea
CID 126449692
1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 97436288
1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride
CID 154901402
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108873909
1-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 118762797
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea (CID 125165743) is 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea is Cc1cc(C)n([C@@H](C)CNC(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)n1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The InChIKey is CDRFXNCRDDPBJD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-11-8-12(2)25(23-11)13(3)10-21-20(28)22-14-4-7-16-17(9-14)19(27)24(18(16)26)15-5-6-15/h4,7-9,13,15H,5-6,10H2,1-3H3,(H2,21,22,28)/t13-/m0/s1.
What are the key properties of 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea?
1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea has a molecular weight of 381.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]urea is sourced from PubChem (CID 125165743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).