1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea

C17H22N4O3 — CID 124552881

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1
InChIInChI=1S/C17H22N4O3/c1-11-16(12(2)21-20-11)19-17(22)18-13-5-3-6-14(9-13)24-10-15-7-4-8-23-15/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,20,21)(H2,18,19,22)/t15-/m1/s1
InChIKeyFKHGJQDISGDVOZ-OAHLLOKOSA-N
MW330.39 g/mol
LogP3.23
Rot. Bonds5

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea (PubChem CID 124552881) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
PubChem CID124552881
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1
InChIInChI=1S/C17H22N4O3/c1-11-16(12(2)21-20-11)19-17(22)18-13-5-3-6-14(9-13)24-10-15-7-4-8-23-15/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,20,21)(H2,18,19,22)/t15-/m1/s1
InChIKeyFKHGJQDISGDVOZ-OAHLLOKOSA-N
XLogP3.23
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 43057825
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
1-[(2S)-4-methoxybutan-2-yl]-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95288894
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea (CID 124552881) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea is Cc1n[nH]c(C)c1NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea?
The InChIKey is FKHGJQDISGDVOZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-16(12(2)21-20-11)19-17(22)18-13-5-3-6-14(9-13)24-10-15-7-4-8-23-15/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,20,21)(H2,18,19,22)/t15-/m1/s1.
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea has a molecular weight of 330.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 124552881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).