1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea

C16H22N4O3 — CID 970380

IUPAC1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)N[C@H](C)c2cn(C)nc2C)c(OC)c1
InChIInChI=1S/C16H22N4O3/c1-10(13-9-20(3)19-11(13)2)17-16(21)18-14-7-6-12(22-4)8-15(14)23-5/h6-10H,1-5H3,(H2,17,18,21)/t10-/m1/s1
InChIKeyVAVYEJLORSXLDC-SNVBAGLBSA-N
MW318.38 g/mol
LogP2.63
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea

1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea (PubChem CID 970380) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
PubChem CID970380
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)N[C@H](C)c2cn(C)nc2C)c(OC)c1
InChIInChI=1S/C16H22N4O3/c1-10(13-9-20(3)19-11(13)2)17-16(21)18-14-7-6-12(22-4)8-15(14)23-5/h6-10H,1-5H3,(H2,17,18,21)/t10-/m1/s1
InChIKeyVAVYEJLORSXLDC-SNVBAGLBSA-N
XLogP2.63
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline
CID 65191841
3-[[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoylamino]-4-methoxybenzamide
CID 95311143
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 92614454
1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55695604
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 138025561
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 17284087
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 56703138
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 55695740

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea (CID 970380) is 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea is COc1ccc(NC(=O)N[C@H](C)c2cn(C)nc2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is VAVYEJLORSXLDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(13-9-20(3)19-11(13)2)17-16(21)18-14-7-6-12(22-4)8-15(14)23-5/h6-10H,1-5H3,(H2,17,18,21)/t10-/m1/s1.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea?
1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 318.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 970380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).