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

C17H24N4O3 — CID 94029275

IUPAC1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)N[C@H](C)Cn2cccn2)c(OC)c1
InChIInChI=1S/C17H24N4O3/c1-12(11-21-9-5-8-18-21)19-17(22)20-13(2)15-7-6-14(23-3)10-16(15)24-4/h5-10,12-13H,11H2,1-4H3,(H2,19,20,22)/t12-,13-/m1/s1
InChIKeyJLADAUGKHRYGCE-CHWSQXEVSA-N
MW332.40 g/mol
LogP2.35
Rot. Bonds7

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

1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94029275) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94029275
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)N[C@H](C)Cn2cccn2)c(OC)c1
InChIInChI=1S/C17H24N4O3/c1-12(11-21-9-5-8-18-21)19-17(22)20-13(2)15-7-6-14(23-3)10-16(15)24-4/h5-10,12-13H,11H2,1-4H3,(H2,19,20,22)/t12-,13-/m1/s1
InChIKeyJLADAUGKHRYGCE-CHWSQXEVSA-N
XLogP2.35
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95129996
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
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1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
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CID 38607050
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709
1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea
CID 138010389
1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94029275) is 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is COc1ccc([C@@H](C)NC(=O)N[C@H](C)Cn2cccn2)c(OC)c1.
What is the InChIKey of 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is JLADAUGKHRYGCE-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(11-21-9-5-8-18-21)19-17(22)20-13(2)15-7-6-14(23-3)10-16(15)24-4/h5-10,12-13H,11H2,1-4H3,(H2,19,20,22)/t12-,13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94029275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).