1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

C17H22N4O2 — CID 94174687

IUPAC1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@@H](Cn1cccn1)NC(=O)N(Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C17H22N4O2/c1-13(11-20-10-2-9-18-20)19-17(23)21(15-5-6-15)12-14-3-7-16(22)8-4-14/h2-4,7-10,13,15,22H,5-6,11-12H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyVIEQFJQDSGULTR-ZDUSSCGKSA-N
MW314.39 g/mol
LogP2.35
Rot. Bonds6

About 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea

1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94174687) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94174687
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@@H](Cn1cccn1)NC(=O)N(Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C17H22N4O2/c1-13(11-20-10-2-9-18-20)19-17(23)21(15-5-6-15)12-14-3-7-16(22)8-4-14/h2-4,7-10,13,15,22H,5-6,11-12H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyVIEQFJQDSGULTR-ZDUSSCGKSA-N
XLogP2.35
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94174687) is 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is C[C@@H](Cn1cccn1)NC(=O)N(Cc1ccc(O)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is VIEQFJQDSGULTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(11-20-10-2-9-18-20)19-17(23)21(15-5-6-15)12-14-3-7-16(22)8-4-14/h2-4,7-10,13,15,22H,5-6,11-12H2,1H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea?
1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94174687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).