3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea

C17H24N4O3 — CID 47079454

IUPAC3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
SMILESCCn1cc(NC(=O)N(C)CC(O)COCc2ccccc2)cn1
InChIInChI=1S/C17H24N4O3/c1-3-21-10-15(9-18-21)19-17(23)20(2)11-16(22)13-24-12-14-7-5-4-6-8-14/h4-10,16,22H,3,11-13H2,1-2H3,(H,19,23)
InChIKeyZOJTWZNPABQECH-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.94
Rot. Bonds8

About 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea

3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea (PubChem CID 47079454) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
PubChem CID47079454
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
SMILESCCn1cc(NC(=O)N(C)CC(O)COCc2ccccc2)cn1
InChIInChI=1S/C17H24N4O3/c1-3-21-10-15(9-18-21)19-17(23)20(2)11-16(22)13-24-12-14-7-5-4-6-8-14/h4-10,16,22H,3,11-13H2,1-2H3,(H,19,23)
InChIKeyZOJTWZNPABQECH-UHFFFAOYSA-N
XLogP1.94
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
CID 52511984
3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079416
N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 71994452
N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107022931
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
CID 111595938
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065792
N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide
CID 111781993
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
CID 111595929

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea (CID 47079454) is 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea is CCn1cc(NC(=O)N(C)CC(O)COCc2ccccc2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea?
The InChIKey is ZOJTWZNPABQECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-21-10-15(9-18-21)19-17(23)20(2)11-16(22)13-24-12-14-7-5-4-6-8-14/h4-10,16,22H,3,11-13H2,1-2H3,(H,19,23).
What are the key properties of 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea?
3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea has a molecular weight of 332.40 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea is sourced from PubChem (CID 47079454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).