1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea

C10H14N6O — CID 47363757

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(C)c2)n(C)n1
InChIInChI=1S/C10H14N6O/c1-7-4-9(16(3)14-7)13-10(17)12-8-5-11-15(2)6-8/h4-6H,1-3H3,(H2,12,13,17)
InChIKeyNYXIKAAOGRXJFD-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.11
Rot. Bonds2

About 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea

1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea (PubChem CID 47363757) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
PubChem CID47363757
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(C)c2)n(C)n1
InChIInChI=1S/C10H14N6O/c1-7-4-9(16(3)14-7)13-10(17)12-8-5-11-15(2)6-8/h4-6H,1-3H3,(H2,12,13,17)
InChIKeyNYXIKAAOGRXJFD-UHFFFAOYSA-N
XLogP1.11
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-pyrazol-1-ylpropanamide
CID 45885693
1,3-bis(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 45792257
N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-2-(triazol-1-yl)acetamide
CID 28410902
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 45821213
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(1-methyl-1H-1,2,3-triazol-4-yl)acetamide
CID 46988180
N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide
CID 75391160
N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 118762532
1-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(1-methyltriazol-4-yl)urea
CID 125166311
1-[(3-Ethyltriazol-4-yl)methyl]-3-(2-propylpyrazol-3-yl)urea
CID 132320652
N-(1,5-dimethyl-1H-pyrazol-4-yl)-3-(5-methyl-1H-tetrazol-1-yl)propanamide
CID 132405991
1-[(3-Ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 136555127
1-(3-Methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
CID 138025248

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea (CID 47363757) is 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea is Cc1cc(NC(=O)Nc2cnn(C)c2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is NYXIKAAOGRXJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7-4-9(16(3)14-7)13-10(17)12-8-5-11-15(2)6-8/h4-6H,1-3H3,(H2,12,13,17).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 234.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 47363757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).