1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea

C19H22N6O2 — CID 154754514

IUPAC1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea
SMILESCOCc1cc(NC(=O)Nc2cc(CCc3ccccc3C)[nH]n2)ncn1
InChIInChI=1S/C19H22N6O2/c1-13-5-3-4-6-14(13)7-8-15-9-18(25-24-15)23-19(26)22-17-10-16(11-27-2)20-12-21-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H3,20,21,22,23,24,25,26)
InChIKeyWLORRPCOWGMBCN-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.08
Rot. Bonds7

About 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea

1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea (PubChem CID 154754514) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea
PubChem CID154754514
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea
SMILESCOCc1cc(NC(=O)Nc2cc(CCc3ccccc3C)[nH]n2)ncn1
InChIInChI=1S/C19H22N6O2/c1-13-5-3-4-6-14(13)7-8-15-9-18(25-24-15)23-19(26)22-17-10-16(11-27-2)20-12-21-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H3,20,21,22,23,24,25,26)
InChIKeyWLORRPCOWGMBCN-UHFFFAOYSA-N
XLogP3.08
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2,2-dimethyl-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]butanamide
CID 126789548
4-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 155952452
N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 174646542
1-(2-chloro-5-methyl-4-pyridinyl)-3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]urea
CID 167888249
N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]pyrazin-2-amine
CID 156751979
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 95755104
1-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-3-(3-propan-2-yloxy-4-pyridinyl)urea
CID 166349253
2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide
CID 84590331
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 84601056
2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide
CID 22898686
3-N,3-N-dimethyl-1-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]benzene-1,3-disulfonamide
CID 167902378

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea?
The IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea (CID 154754514) is 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea.
What is the SMILES notation for 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea?
The canonical SMILES for 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea is COCc1cc(NC(=O)Nc2cc(CCc3ccccc3C)[nH]n2)ncn1.
What is the InChIKey of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea?
The InChIKey is WLORRPCOWGMBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-5-3-4-6-14(13)7-8-15-9-18(25-24-15)23-19(26)22-17-10-16(11-27-2)20-12-21-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H3,20,21,22,23,24,25,26).
What are the key properties of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea?
1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea has a molecular weight of 366.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 154754514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).