1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea

C15H18N4O2 — CID 84595112

IUPAC1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea
SMILESCC1OCCC1NC(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H18N4O2/c1-11-14(7-10-21-11)18-15(20)17-12-3-5-13(6-4-12)19-9-2-8-16-19/h2-6,8-9,11,14H,7,10H2,1H3,(H2,17,18,20)
InChIKeyTWUIHIUUVUCXMW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea

1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea (PubChem CID 84595112) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea
PubChem CID84595112
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea
SMILESCC1OCCC1NC(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H18N4O2/c1-11-14(7-10-21-11)18-15(20)17-12-3-5-13(6-4-12)19-9-2-8-16-19/h2-6,8-9,11,14H,7,10H2,1H3,(H2,17,18,20)
InChIKeyTWUIHIUUVUCXMW-UHFFFAOYSA-N
XLogP2.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea
CID 82736980
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
1-methyl-1-(oxan-2-ylmethyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 118786796
1-methyl-1-[[(2S)-oxan-2-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124572395
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
CID 82737312
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
1-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 91837463
1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124850362

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea (CID 84595112) is 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea is CC1OCCC1NC(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea?
The InChIKey is TWUIHIUUVUCXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-14(7-10-21-11)18-15(20)17-12-3-5-13(6-4-12)19-9-2-8-16-19/h2-6,8-9,11,14H,7,10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea?
1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea has a molecular weight of 286.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 84595112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).