1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

C15H18N8O — CID 99714951

IUPAC1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1cc(C[C@@H](C)NC(=O)Nc2cnn(-c3ncccn3)c2)n[nH]1
InChIInChI=1S/C15H18N8O/c1-10(6-12-7-11(2)21-22-12)19-15(24)20-13-8-18-23(9-13)14-16-4-3-5-17-14/h3-5,7-10H,6H2,1-2H3,(H,21,22)(H2,19,20,24)/t10-/m1/s1
InChIKeyUGQCXWHJIUIKEB-SNVBAGLBSA-N
MW326.36 g/mol
LogP1.45
Rot. Bonds5

About 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (PubChem CID 99714951) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
PubChem CID99714951
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1cc(C[C@@H](C)NC(=O)Nc2cnn(-c3ncccn3)c2)n[nH]1
InChIInChI=1S/C15H18N8O/c1-10(6-12-7-11(2)21-22-12)19-15(24)20-13-8-18-23(9-13)14-16-4-3-5-17-14/h3-5,7-10H,6H2,1-2H3,(H,21,22)(H2,19,20,24)/t10-/m1/s1
InChIKeyUGQCXWHJIUIKEB-SNVBAGLBSA-N
XLogP1.45
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
1-(3-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 97069201
1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99711727
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 99583562
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99606047
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
CID 99595123
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea
CID 99584345
1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
1-(4,6-dimethyl-2-pyridinyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99624390
1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899569
1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 166196323
1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99587018

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (CID 99714951) is 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(-c3ncccn3)c2)n[nH]1.
What is the InChIKey of 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The InChIKey is UGQCXWHJIUIKEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N8O/c1-10(6-12-7-11(2)21-22-12)19-15(24)20-13-8-18-23(9-13)14-16-4-3-5-17-14/h3-5,7-10H,6H2,1-2H3,(H,21,22)(H2,19,20,24)/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea has a molecular weight of 326.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 99714951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).