[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea

C14H19N5O — CID 43777234

IUPAC[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea
SMILESCc1n[nH]c(C)c1NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H19N5O/c1-8(16-13-9(2)18-19-10(13)3)11-4-6-12(7-5-11)17-14(15)20/h4-8,16H,1-3H3,(H,18,19)(H3,15,17,20)
InChIKeyHNTUWWBXYAHULY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.69
Rot. Bonds4

About [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea

[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea (PubChem CID 43777234) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea
PubChem CID43777234
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea
SMILESCc1n[nH]c(C)c1NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H19N5O/c1-8(16-13-9(2)18-19-10(13)3)11-4-6-12(7-5-11)17-14(15)20/h4-8,16H,1-3H3,(H,18,19)(H3,15,17,20)
InChIKeyHNTUWWBXYAHULY-UHFFFAOYSA-N
XLogP2.69
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea
CID 43750027
[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
CID 107648295
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea
CID 103932386
[4-[1-(3-bromo-5-methylanilino)ethyl]phenyl]urea
CID 104938370
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea
CID 79047589
3,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-1H-pyrazol-4-amine
CID 43547160
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea (CID 43777234) is [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea is Cc1n[nH]c(C)c1NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea?
The InChIKey is HNTUWWBXYAHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8(16-13-9(2)18-19-10(13)3)11-4-6-12(7-5-11)17-14(15)20/h4-8,16H,1-3H3,(H,18,19)(H3,15,17,20).
What are the key properties of [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea?
[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea has a molecular weight of 273.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 43777234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).