1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C19H27N5O — CID 95276095

IUPAC1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCc1cccc(C2(CNC(=O)N[C@H](C)c3nncn3C)CCCC2)c1
InChIInChI=1S/C19H27N5O/c1-14-7-6-8-16(11-14)19(9-4-5-10-19)12-20-18(25)22-15(2)17-23-21-13-24(17)3/h6-8,11,13,15H,4-5,9-10,12H2,1-3H3,(H2,20,22,25)/t15-/m1/s1
InChIKeyXXMFGWBNRLUCED-OAHLLOKOSA-N
MW341.46 g/mol
LogP3.00
Rot. Bonds5

About 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 95276095) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID95276095
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCc1cccc(C2(CNC(=O)N[C@H](C)c3nncn3C)CCCC2)c1
InChIInChI=1S/C19H27N5O/c1-14-7-6-8-16(11-14)19(9-4-5-10-19)12-20-18(25)22-15(2)17-23-21-13-24(17)3/h6-8,11,13,15H,4-5,9-10,12H2,1-3H3,(H2,20,22,25)/t15-/m1/s1
InChIKeyXXMFGWBNRLUCED-OAHLLOKOSA-N
XLogP3.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119990
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95179302
(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
CID 95326754
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97089877
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 95134046
1-[3-(4-methylphenoxy)propyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95273150
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 94031329
1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94251748

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 95276095) is 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is Cc1cccc(C2(CNC(=O)N[C@H](C)c3nncn3C)CCCC2)c1.
What is the InChIKey of 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is XXMFGWBNRLUCED-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-7-6-8-16(11-14)19(9-4-5-10-19)12-20-18(25)22-15(2)17-23-21-13-24(17)3/h6-8,11,13,15H,4-5,9-10,12H2,1-3H3,(H2,20,22,25)/t15-/m1/s1.
What are the key properties of 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 341.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 95276095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).