1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea

C19H26N4O2 — CID 72866343

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea
SMILESCc1cc(NC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)n(C)n1
InChIInChI=1S/C19H26N4O2/c1-14-12-18(23(2)22-14)21-19(24)20-16-10-6-7-11-17(16)25-13-15-8-4-3-5-9-15/h3-5,8-9,12,16-17H,6-7,10-11,13H2,1-2H3,(H2,20,21,24)/t16-,17-/m0/s1
InChIKeyCNIUSULHIUQAFQ-IRXDYDNUSA-N
MW342.44 g/mol
LogP3.38
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea (PubChem CID 72866343) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea
PubChem CID72866343
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea
SMILESCc1cc(NC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)n(C)n1
InChIInChI=1S/C19H26N4O2/c1-14-12-18(23(2)22-14)21-19(24)20-16-10-6-7-11-17(16)25-13-15-8-4-3-5-9-15/h3-5,8-9,12,16-17H,6-7,10-11,13H2,1-2H3,(H2,20,21,24)/t16-,17-/m0/s1
InChIKeyCNIUSULHIUQAFQ-IRXDYDNUSA-N
XLogP3.38
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea with MolForge

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Related Compounds

US10640495, Example I-55
CID 135226239
US10640495, Example I-518
CID 135226429
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(2-fluorophenyl)urea
CID 137637081
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
CID 137645323
US10323022, Example 100
CID 71040969
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 45821203
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 45821208
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 45821257
1-(4-Hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 47090473
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51080201
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 51080208
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 51105099

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea (CID 72866343) is 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea is Cc1cc(NC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea?
The InChIKey is CNIUSULHIUQAFQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-12-18(23(2)22-14)21-19(24)20-16-10-6-7-11-17(16)25-13-15-8-4-3-5-9-15/h3-5,8-9,12,16-17H,6-7,10-11,13H2,1-2H3,(H2,20,21,24)/t16-,17-/m0/s1.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[(1S,2S)-2-phenylmethoxycyclohexyl]urea is sourced from PubChem (CID 72866343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).