1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea

C13H13N5O — CID 104593236

IUPAC1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nn(C)cc2C#N)c1
InChIInChI=1S/C13H13N5O/c1-9-4-3-5-11(6-9)15-13(19)16-12-10(7-14)8-18(2)17-12/h3-6,8H,1-2H3,(H2,15,16,17,19)
InChIKeyNENMRRIXADSGAX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds2

About 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea

1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea (PubChem CID 104593236) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea
PubChem CID104593236
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nn(C)cc2C#N)c1
InChIInChI=1S/C13H13N5O/c1-9-4-3-5-11(6-9)15-13(19)16-12-10(7-14)8-18(2)17-12/h3-6,8H,1-2H3,(H2,15,16,17,19)
InChIKeyNENMRRIXADSGAX-UHFFFAOYSA-N
XLogP2.24
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyano-1-methylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 104593247
1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
CID 104593006
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-3-methylbenzamide
CID 103857168
N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
CID 104593096
1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-3-(3-methylphenyl)urea
CID 1008073
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 104593170
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 113430347
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
[4-[(3-methylphenyl)carbamoylamino]phenyl] thiocyanate
CID 108887985

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea (CID 104593236) is 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2nn(C)cc2C#N)c1.
What is the InChIKey of 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea?
The InChIKey is NENMRRIXADSGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-4-3-5-11(6-9)15-13(19)16-12-10(7-14)8-18(2)17-12/h3-6,8H,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea?
1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea has a molecular weight of 255.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-1-methylpyrazol-3-yl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 104593236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).