1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C18H24N4O2 — CID 110933208

IUPAC1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1Cn1cccn1)NC1CCCCC1O
InChIInChI=1S/C18H24N4O2/c23-17-9-4-3-8-16(17)21-18(24)19-12-14-6-1-2-7-15(14)13-22-11-5-10-20-22/h1-2,5-7,10-11,16-17,23H,3-4,8-9,12-13H2,(H2,19,21,24)
InChIKeyLDASASLBFZQGSJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.03
Rot. Bonds5

About 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 110933208) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID110933208
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1Cn1cccn1)NC1CCCCC1O
InChIInChI=1S/C18H24N4O2/c23-17-9-4-3-8-16(17)21-18(24)19-12-14-6-1-2-7-15(14)13-22-11-5-10-20-22/h1-2,5-7,10-11,16-17,23H,3-4,8-9,12-13H2,(H2,19,21,24)
InChIKeyLDASASLBFZQGSJ-UHFFFAOYSA-N
XLogP2.03
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 110933208) is 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccccc1Cn1cccn1)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is LDASASLBFZQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-9-4-3-8-16(17)21-18(24)19-12-14-6-1-2-7-15(14)13-22-11-5-10-20-22/h1-2,5-7,10-11,16-17,23H,3-4,8-9,12-13H2,(H2,19,21,24).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 110933208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).