[4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea

C15H21N5O — CID 80685837

IUPAC[4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea
SMILESCC(NCCc1cnn(C)c1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H21N5O/c1-11(17-8-7-12-9-18-20(2)10-12)13-3-5-14(6-4-13)19-15(16)21/h3-6,9-11,17H,7-8H2,1-2H3,(H3,16,19,21)
InChIKeyQDKCBJZEIXCYAU-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.80
Rot. Bonds6

About [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea

[4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea (PubChem CID 80685837) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea
PubChem CID80685837
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea
SMILESCC(NCCc1cnn(C)c1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H21N5O/c1-11(17-8-7-12-9-18-20(2)10-12)13-3-5-14(6-4-13)19-15(16)21/h3-6,9-11,17H,7-8H2,1-2H3,(H3,16,19,21)
InChIKeyQDKCBJZEIXCYAU-UHFFFAOYSA-N
XLogP1.80
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
CID 103904492
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682464
[4-[1-[(1-methylpyrrol-3-yl)methylamino]ethyl]phenyl]urea
CID 66398981
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80683784
1-(4-chloro-3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 82994452
N,N-dimethyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]propanamide
CID 80688817

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea (CID 80685837) is [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea is CC(NCCc1cnn(C)c1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea?
The InChIKey is QDKCBJZEIXCYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(17-8-7-12-9-18-20(2)10-12)13-3-5-14(6-4-13)19-15(16)21/h3-6,9-11,17H,7-8H2,1-2H3,(H3,16,19,21).
What are the key properties of [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea?
[4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea has a molecular weight of 287.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea is sourced from PubChem (CID 80685837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).