1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea

C19H26N4O2 — CID 95899503

IUPAC1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
SMILESCc1ccc([C@@H](C)N(C)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1
InChIInChI=1S/C19H26N4O2/c1-14-6-8-16(9-7-14)15(2)22(3)19(24)21-17-11-20-23(12-17)13-18-5-4-10-25-18/h6-9,11-12,15,18H,4-5,10,13H2,1-3H3,(H,21,24)/t15-,18-/m1/s1
InChIKeyIJBRRKMLQUOQDE-CRAIPNDOSA-N
MW342.44 g/mol
LogP3.60
Rot. Bonds5

About 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea

1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea (PubChem CID 95899503) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
PubChem CID95899503
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
SMILESCc1ccc([C@@H](C)N(C)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1
InChIInChI=1S/C19H26N4O2/c1-14-6-8-16(9-7-14)15(2)22(3)19(24)21-17-11-20-23(12-17)13-18-5-4-10-25-18/h6-9,11-12,15,18H,4-5,10,13H2,1-3H3,(H,21,24)/t15-,18-/m1/s1
InChIKeyIJBRRKMLQUOQDE-CRAIPNDOSA-N
XLogP3.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(2-fluorophenyl)ethyl]-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567744
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136527849
1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038939
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899324
1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038237
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 60544723
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea (CID 95899503) is 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea is Cc1ccc([C@@H](C)N(C)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1.
What is the InChIKey of 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
The InChIKey is IJBRRKMLQUOQDE-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-6-8-16(9-7-14)15(2)22(3)19(24)21-17-11-20-23(12-17)13-18-5-4-10-25-18/h6-9,11-12,15,18H,4-5,10,13H2,1-3H3,(H,21,24)/t15-,18-/m1/s1.
What are the key properties of 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 95899503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).