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

C15H21N5O — CID 43750027

IUPAC[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea
SMILESCc1n[nH]c(C)c1CNC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H21N5O/c1-9(17-8-14-10(2)19-20-11(14)3)12-4-6-13(7-5-12)18-15(16)21/h4-7,9,17H,8H2,1-3H3,(H,19,20)(H3,16,18,21)
InChIKeyBJQVQYIRFMYXSV-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.37
Rot. Bonds5

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

[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea (PubChem CID 43750027) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea
PubChem CID43750027
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea
SMILESCc1n[nH]c(C)c1CNC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H21N5O/c1-9(17-8-14-10(2)19-20-11(14)3)12-4-6-13(7-5-12)18-15(16)21/h4-7,9,17H,8H2,1-3H3,(H,19,20)(H3,16,18,21)
InChIKeyBJQVQYIRFMYXSV-UHFFFAOYSA-N
XLogP2.37
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea
CID 43777234
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 60780721
[4-[1-(1H-pyrrol-2-ylmethylamino)ethyl]phenyl]urea
CID 62340246
[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea
CID 103786277
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 110685607
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 65246401
[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
CID 63983873
[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
CID 43763193
[4-[1-[(2-bromophenyl)methylamino]ethyl]phenyl]urea
CID 43750000
(1S)-1-(3-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81381287
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea (CID 43750027) is [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea is Cc1n[nH]c(C)c1CNC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea?
The InChIKey is BJQVQYIRFMYXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(17-8-14-10(2)19-20-11(14)3)12-4-6-13(7-5-12)18-15(16)21/h4-7,9,17H,8H2,1-3H3,(H,19,20)(H3,16,18,21).
What are the key properties of [4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea?
[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea has a molecular weight of 287.37 g/mol, XLogP of 2.37, 5 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)methylamino]ethyl]phenyl]urea is sourced from PubChem (CID 43750027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).