[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea

C14H19N5O — CID 104955781

IUPAC[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
SMILESCc1nn(C)cc1NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H19N5O/c1-9(16-13-8-19(3)18-10(13)2)11-4-6-12(7-5-11)17-14(15)20/h4-9,16H,1-3H3,(H3,15,17,20)
InChIKeyLKPLLTZFHXLCCL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.39
Rot. Bonds4

About [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea

[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea (PubChem CID 104955781) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
PubChem CID104955781
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
SMILESCc1nn(C)cc1NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H19N5O/c1-9(16-13-8-19(3)18-10(13)2)11-4-6-12(7-5-11)17-14(15)20/h4-9,16H,1-3H3,(H3,15,17,20)
InChIKeyLKPLLTZFHXLCCL-UHFFFAOYSA-N
XLogP2.39
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
CID 104952489
1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 102807086
1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
CID 104955918
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea
CID 43777234
[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
CID 107648295
[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
CID 43774024
1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine
CID 104955808
[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea
CID 103932386
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801382

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea (CID 104955781) is [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea is Cc1nn(C)cc1NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea?
The InChIKey is LKPLLTZFHXLCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(16-13-8-19(3)18-10(13)2)11-4-6-12(7-5-11)17-14(15)20/h4-9,16H,1-3H3,(H3,15,17,20).
What are the key properties of [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea?
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea has a molecular weight of 273.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 104955781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).