3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea

C19H26N4O2 — CID 72940334

IUPAC3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESCc1ccccc1CN(CC1CCCO1)C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C19H26N4O2/c1-14-7-4-5-8-16(14)12-23(13-17-9-6-10-25-17)19(24)21-18-11-20-22(3)15(18)2/h4-5,7-8,11,17H,6,9-10,12-13H2,1-3H3,(H,21,24)
InChIKeyRGAQWDZSGAATBW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds5

About 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea

3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea (PubChem CID 72940334) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea
PubChem CID72940334
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESCc1ccccc1CN(CC1CCCO1)C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C19H26N4O2/c1-14-7-4-5-8-16(14)12-23(13-17-9-6-10-25-17)19(24)21-18-11-20-22(3)15(18)2/h4-5,7-8,11,17H,6,9-10,12-13H2,1-3H3,(H,21,24)
InChIKeyRGAQWDZSGAATBW-UHFFFAOYSA-N
XLogP3.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10323022, Example 648
CID 71015398
N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 155513256
US11365205, Example 4
CID 139527147
1-[1-(2-Methoxyethyl)pyrazol-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 45831991
3-[Benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide
CID 47048247
1-[2-(Dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 53498533
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53502654
1-(1-Ethylpyrazol-4-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 53506358
2,2-dimethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 53610183
1-Methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(pyridin-4-ylmethyl)urea
CID 71984813
1-[1-(2,5-Dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea
CID 75390183
N-[(Oxolan-2-YL)methyl]-2-(pyridin-4-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carboxamide
CID 53165199

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea (CID 72940334) is 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea is Cc1ccccc1CN(CC1CCCO1)C(=O)Nc1cnn(C)c1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
The InChIKey is RGAQWDZSGAATBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-7-4-5-8-16(14)12-23(13-17-9-6-10-25-17)19(24)21-18-11-20-22(3)15(18)2/h4-5,7-8,11,17H,6,9-10,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea?
3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 72940334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).