3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C19H26N4O2 — CID 109396961

IUPAC3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)N(C)CC2CCCC2O)n1
InChIInChI=1S/C19H26N4O2/c1-13-11-14(2)23(21-13)17-9-5-4-8-16(17)20-19(25)22(3)12-15-7-6-10-18(15)24/h4-5,8-9,11,15,18,24H,6-7,10,12H2,1-3H3,(H,20,25)
InChIKeyKUPNYOOGAVWTDX-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.11
Rot. Bonds4

About 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109396961) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109396961
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)N(C)CC2CCCC2O)n1
InChIInChI=1S/C19H26N4O2/c1-13-11-14(2)23(21-13)17-9-5-4-8-16(17)20-19(25)22(3)12-15-7-6-10-18(15)24/h4-5,8-9,11,15,18,24H,6-7,10,12H2,1-3H3,(H,20,25)
InChIKeyKUPNYOOGAVWTDX-UHFFFAOYSA-N
XLogP3.11
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95597649
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017230
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
CID 98852990
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104605
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
CID 47033804
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 47025805
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 72870768
1-cyclobutyl-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
CID 75381169

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109396961) is 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is Cc1cc(C)n(-c2ccccc2NC(=O)N(C)CC2CCCC2O)n1.
What is the InChIKey of 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is KUPNYOOGAVWTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-11-14(2)23(21-13)17-9-5-4-8-16(17)20-19(25)22(3)12-15-7-6-10-18(15)24/h4-5,8-9,11,15,18,24H,6-7,10,12H2,1-3H3,(H,20,25).
What are the key properties of 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 342.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109396961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).