1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

C18H19N5O2 — CID 166181805

IUPAC1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(NCCc1ccc(O)cc1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C18H19N5O2/c24-16-6-4-14(5-7-16)8-11-20-18(25)21-17-9-12-23(22-17)13-15-3-1-2-10-19-15/h1-7,9-10,12,24H,8,11,13H2,(H2,20,21,22,25)
InChIKeyDJAPNHITJXFMDI-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.40
Rot. Bonds6

About 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (PubChem CID 166181805) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
PubChem CID166181805
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(NCCc1ccc(O)cc1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C18H19N5O2/c24-16-6-4-14(5-7-16)8-11-20-18(25)21-17-9-12-23(22-17)13-15-3-1-2-10-19-15/h1-7,9-10,12,24H,8,11,13H2,(H2,20,21,22,25)
InChIKeyDJAPNHITJXFMDI-UHFFFAOYSA-N
XLogP2.40
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71984854
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 95899176
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2-phenylethyl)thiourea
CID 17374809
(E)-3-(2,6-difluorophenyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 51101513
1-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(2-phenylethyl)thiourea
CID 17298831
(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98730671
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166231335

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (CID 166181805) is 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is O=C(NCCc1ccc(O)cc1)Nc1ccn(Cc2ccccn2)n1.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is DJAPNHITJXFMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-16-6-4-14(5-7-16)8-11-20-18(25)21-17-9-12-23(22-17)13-15-3-1-2-10-19-15/h1-7,9-10,12,24H,8,11,13H2,(H2,20,21,22,25).
What are the key properties of 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 337.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 166181805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).