1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

C18H24N4O2 — CID 87038939

IUPAC1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCc1ccc(CNC(=O)Nc2cnn(CC3CCCO3)c2)c(C)c1
InChIInChI=1S/C18H24N4O2/c1-13-5-6-15(14(2)8-13)9-19-18(23)21-16-10-20-22(11-16)12-17-4-3-7-24-17/h5-6,8,10-11,17H,3-4,7,9,12H2,1-2H3,(H2,19,21,23)
InChIKeyXFTLDKSMJPOPLA-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.00
Rot. Bonds5

About 1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (PubChem CID 87038939) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
PubChem CID87038939
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCc1ccc(CNC(=O)Nc2cnn(CC3CCCO3)c2)c(C)c1
InChIInChI=1S/C18H24N4O2/c1-13-5-6-15(14(2)8-13)9-19-18(23)21-16-10-20-22(11-16)12-17-4-3-7-24-17/h5-6,8,10-11,17H,3-4,7,9,12H2,1-2H3,(H2,19,21,23)
InChIKeyXFTLDKSMJPOPLA-UHFFFAOYSA-N
XLogP3.00
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(oxan-2-ylmethyl)pyrazol-4-yl]urea
CID 121145357
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87037090
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136517483
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578353
1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578786
1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899503

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (CID 87038939) is 1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is Cc1ccc(CNC(=O)Nc2cnn(CC3CCCO3)c2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is XFTLDKSMJPOPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-5-6-15(14(2)8-13)9-19-18(23)21-16-10-20-22(11-16)12-17-4-3-7-24-17/h5-6,8,10-11,17H,3-4,7,9,12H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 328.42 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-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 87038939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).