1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea

C13H16N4O — CID 113433831

IUPAC1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2n[nH]c(C)c2C)cc1
InChIInChI=1S/C13H16N4O/c1-8-4-6-11(7-5-8)14-13(18)15-12-9(2)10(3)16-17-12/h4-7H,1-3H3,(H3,14,15,16,17,18)
InChIKeyVOIOUNPXQWUVEW-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.98
Rot. Bonds2

About 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea

1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea (PubChem CID 113433831) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
PubChem CID113433831
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2n[nH]c(C)c2C)cc1
InChIInChI=1S/C13H16N4O/c1-8-4-6-11(7-5-8)14-13(18)15-12-9(2)10(3)16-17-12/h4-7H,1-3H3,(H3,14,15,16,17,18)
InChIKeyVOIOUNPXQWUVEW-UHFFFAOYSA-N
XLogP2.98
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-nitrophenyl)urea
CID 104620513
1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea
CID 104620541
1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
CID 61394391
methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate
CID 167865415
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620407
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide
CID 115609974

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea (CID 113433831) is 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2n[nH]c(C)c2C)cc1.
What is the InChIKey of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
The InChIKey is VOIOUNPXQWUVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-4-6-11(7-5-8)14-13(18)15-12-9(2)10(3)16-17-12/h4-7H,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea has a molecular weight of 244.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 113433831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).