1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea

C17H17N5O — CID 75397330

IUPAC1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cn[nH]c2-c2ccccn2)c1
InChIInChI=1S/C17H17N5O/c1-11-7-12(2)9-13(8-11)20-17(23)21-15-10-19-22-16(15)14-5-3-4-6-18-14/h3-10H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyRBGIMWBGMHFJER-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.73
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea

1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea (PubChem CID 75397330) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea
PubChem CID75397330
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cn[nH]c2-c2ccccn2)c1
InChIInChI=1S/C17H17N5O/c1-11-7-12(2)9-13(8-11)20-17(23)21-15-10-19-22-16(15)14-5-3-4-6-18-14/h3-10H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyRBGIMWBGMHFJER-UHFFFAOYSA-N
XLogP3.73
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[2-oxo-2-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]ethyl]benzamide
CID 86796993
4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166192549
1-(2-propylpyrazol-3-yl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea
CID 71913780
2-tert-butyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyrimidine-5-carboxamide
CID 166225176
2-methoxy-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 146124376
N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
CID 97257729
5-ethyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166234581
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 154858973
2-pyridin-3-yl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)acetamide
CID 166192558
6-(ethylamino)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166397794
N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
CID 75443487
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea (CID 75397330) is 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea is Cc1cc(C)cc(NC(=O)Nc2cn[nH]c2-c2ccccn2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea?
The InChIKey is RBGIMWBGMHFJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-7-12(2)9-13(8-11)20-17(23)21-15-10-19-22-16(15)14-5-3-4-6-18-14/h3-10H,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea?
1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea has a molecular weight of 307.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 75397330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).