1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea

C20H27N5O2 — CID 97454459

IUPAC1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccnn1C
InChIInChI=1S/C20H27N5O2/c1-3-17(18-10-11-21-24(18)2)23-20(27)22-16-8-6-15(7-9-16)14-19(26)25-12-4-5-13-25/h6-11,17H,3-5,12-14H2,1-2H3,(H2,22,23,27)/t17-/m0/s1
InChIKeyMBGRBEXZUHECHH-KRWDZBQOSA-N
MW369.47 g/mol
LogP2.86
Rot. Bonds6

About 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea

1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea (PubChem CID 97454459) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
PubChem CID97454459
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccnn1C
InChIInChI=1S/C20H27N5O2/c1-3-17(18-10-11-21-24(18)2)23-20(27)22-16-8-6-15(7-9-16)14-19(26)25-12-4-5-13-25/h6-11,17H,3-5,12-14H2,1-2H3,(H2,22,23,27)/t17-/m0/s1
InChIKeyMBGRBEXZUHECHH-KRWDZBQOSA-N
XLogP2.86
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea with MolForge

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Related Compounds

1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
CID 126449953
1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 125170292
1-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]urea
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CID 94655505
1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea
CID 118766700
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 38953906
1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
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1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60612014
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
CID 125165681
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55851140
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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
The IUPAC name of 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea (CID 97454459) is 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
The canonical SMILES for 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea is CC[C@H](NC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccnn1C.
What is the InChIKey of 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
The InChIKey is MBGRBEXZUHECHH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-17(18-10-11-21-24(18)2)23-20(27)22-16-8-6-15(7-9-16)14-19(26)25-12-4-5-13-25/h6-11,17H,3-5,12-14H2,1-2H3,(H2,22,23,27)/t17-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea has a molecular weight of 369.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea is sourced from PubChem (CID 97454459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).