1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

C18H26N4O3 — CID 94029431

IUPAC1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCOc1cc(C)c([C@@H](C)NC(=O)N[C@@H](C)Cn2cccn2)cc1OC
InChIInChI=1S/C18H26N4O3/c1-12-9-16(24-4)17(25-5)10-15(12)14(3)21-18(23)20-13(2)11-22-8-6-7-19-22/h6-10,13-14H,11H2,1-5H3,(H2,20,21,23)/t13-,14+/m0/s1
InChIKeyGJKBEUGOSRBZNI-UONOGXRCSA-N
MW346.43 g/mol
LogP2.66
Rot. Bonds7

About 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94029431) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94029431
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCOc1cc(C)c([C@@H](C)NC(=O)N[C@@H](C)Cn2cccn2)cc1OC
InChIInChI=1S/C18H26N4O3/c1-12-9-16(24-4)17(25-5)10-15(12)14(3)21-18(23)20-13(2)11-22-8-6-7-19-22/h6-10,13-14H,11H2,1-5H3,(H2,20,21,23)/t13-,14+/m0/s1
InChIKeyGJKBEUGOSRBZNI-UONOGXRCSA-N
XLogP2.66
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95129996
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 53499388
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
CID 95303083
5-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 38610936

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94029431) is 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is COc1cc(C)c([C@@H](C)NC(=O)N[C@@H](C)Cn2cccn2)cc1OC.
What is the InChIKey of 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is GJKBEUGOSRBZNI-UONOGXRCSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-9-16(24-4)17(25-5)10-15(12)14(3)21-18(23)20-13(2)11-22-8-6-7-19-22/h6-10,13-14H,11H2,1-5H3,(H2,20,21,23)/t13-,14+/m0/s1.
What are the key properties of 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 346.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94029431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).