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

C18H24N4O3 — CID 136578786

IUPAC1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCOc1c(C)ccc(NC(=O)Nc2cnn(CC3CCCO3)c2)c1C
InChIInChI=1S/C18H24N4O3/c1-12-6-7-16(13(2)17(12)24-3)21-18(23)20-14-9-19-22(10-14)11-15-5-4-8-25-15/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H2,20,21,23)
InChIKeyYXIMONIVDSGNAS-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.33
Rot. Bonds5

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

1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (PubChem CID 136578786) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
PubChem CID136578786
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCOc1c(C)ccc(NC(=O)Nc2cnn(CC3CCCO3)c2)c1C
InChIInChI=1S/C18H24N4O3/c1-12-6-7-16(13(2)17(12)24-3)21-18(23)20-14-9-19-22(10-14)11-15-5-4-8-25-15/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H2,20,21,23)
InChIKeyYXIMONIVDSGNAS-UHFFFAOYSA-N
XLogP3.33
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038939
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (CID 136578786) is 1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is COc1c(C)ccc(NC(=O)Nc2cnn(CC3CCCO3)c2)c1C.
What is the InChIKey of 1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is YXIMONIVDSGNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-6-7-16(13(2)17(12)24-3)21-18(23)20-14-9-19-22(10-14)11-15-5-4-8-25-15/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,4-dimethylphenyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 136578786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).