1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea

C14H16N4O2 — CID 166262560

IUPAC1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1ccc(CO)cc1)Nc1cn[nH]c1C1CC1
InChIInChI=1S/C14H16N4O2/c19-8-9-1-5-11(6-2-9)16-14(20)17-12-7-15-18-13(12)10-3-4-10/h1-2,5-7,10,19H,3-4,8H2,(H,15,18)(H2,16,17,20)
InChIKeyUXEYEGOBHVYWRP-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.42
Rot. Bonds4

About 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea

1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea (PubChem CID 166262560) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea
PubChem CID166262560
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea
SMILESO=C(Nc1ccc(CO)cc1)Nc1cn[nH]c1C1CC1
InChIInChI=1S/C14H16N4O2/c19-8-9-1-5-11(6-2-9)16-14(20)17-12-7-15-18-13(12)10-3-4-10/h1-2,5-7,10,19H,3-4,8H2,(H,15,18)(H2,16,17,20)
InChIKeyUXEYEGOBHVYWRP-UHFFFAOYSA-N
XLogP2.42
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
CID 166244026
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(6-cyclopropylpyridazin-3-yl)urea
CID 166243941
1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166292729
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea
CID 166410481
1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166281005
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(1,5-naphthyridin-2-yl)urea
CID 167913870
1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166280851
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea
CID 167867415
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166322333
2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea (CID 166262560) is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea is O=C(Nc1ccc(CO)cc1)Nc1cn[nH]c1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea?
The InChIKey is UXEYEGOBHVYWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-8-9-1-5-11(6-2-9)16-14(20)17-12-7-15-18-13(12)10-3-4-10/h1-2,5-7,10,19H,3-4,8H2,(H,15,18)(H2,16,17,20).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea?
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea has a molecular weight of 272.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea is sourced from PubChem (CID 166262560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).