1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea

C18H23N5O2 — CID 99835760

IUPAC1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)n[nH]1
InChIInChI=1S/C18H23N5O2/c1-13-12-16(22-21-13)20-18(25)19-15-7-4-14(5-8-15)6-9-17(24)23-10-2-3-11-23/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H3,19,20,21,22,25)
InChIKeyISJPCQZUMMAYKT-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.92
Rot. Bonds5

About 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea

1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea (PubChem CID 99835760) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
PubChem CID99835760
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)n[nH]1
InChIInChI=1S/C18H23N5O2/c1-13-12-16(22-21-13)20-18(25)19-15-7-4-14(5-8-15)6-9-17(24)23-10-2-3-11-23/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H3,19,20,21,22,25)
InChIKeyISJPCQZUMMAYKT-UHFFFAOYSA-N
XLogP2.92
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60577432
3-(4-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 110483845
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338
2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609116
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
CID 119303606
1-[(2,4-dichlorophenyl)methyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60576943
1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea
CID 99835806
1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60577236
trans-(1S,2R)-2-methyl-1-[[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 138028390
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
cis-(1R,3S)-2,2-dimethyl-3-[[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122099603

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea (CID 99835760) is 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea is Cc1cc(NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
The InChIKey is ISJPCQZUMMAYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-12-16(22-21-13)20-18(25)19-15-7-4-14(5-8-15)6-9-17(24)23-10-2-3-11-23/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H3,19,20,21,22,25).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea has a molecular weight of 341.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea is sourced from PubChem (CID 99835760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).