1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea

C18H24N4O2 — CID 84600911

IUPAC1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NCC2(C)CCCO2)c(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O2/c1-18(9-6-10-24-18)13-20-17(23)19-11-15-12-22(2)21-16(15)14-7-4-3-5-8-14/h3-5,7-8,12H,6,9-11,13H2,1-2H3,(H2,19,20,23)
InChIKeyTZDFHHSFUWHYOA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.46
Rot. Bonds5

About 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea

1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea (PubChem CID 84600911) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea
PubChem CID84600911
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NCC2(C)CCCO2)c(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O2/c1-18(9-6-10-24-18)13-20-17(23)19-11-15-12-22(2)21-16(15)14-7-4-3-5-8-14/h3-5,7-8,12H,6,9-11,13H2,1-2H3,(H2,19,20,23)
InChIKeyTZDFHHSFUWHYOA-UHFFFAOYSA-N
XLogP2.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 155513256
2,2-dimethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 53610183
3-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]morpholine-4-carboxamide
CID 75435735
(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 84595210
3-{1-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]piperidin-4-YL}-3-(oxan-4-YL)-1-(2-phenylethyl)urea
CID 91906203
(2S,3R)-N-[(3-fluorophenyl)methyl]-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97411821
1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 97434177
(2S,3R)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97470245
(2S,3S)-N-[(3-fluorophenyl)methyl]-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97470674
N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 121516641
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carboxamide
CID 121536740
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 136523212

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea (CID 84600911) is 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea is Cn1cc(CNC(=O)NCC2(C)CCCO2)c(-c2ccccc2)n1.
What is the InChIKey of 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is TZDFHHSFUWHYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(9-6-10-24-18)13-20-17(23)19-11-15-12-22(2)21-16(15)14-7-4-3-5-8-14/h3-5,7-8,12H,6,9-11,13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea?
1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyloxolan-2-yl)methyl]-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 84600911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).