1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea

C15H21N5O — CID 118793553

IUPAC1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea
SMILESCCc1nn(C)c(NC(=O)NCCc2ccncc2)c1C
InChIInChI=1S/C15H21N5O/c1-4-13-11(2)14(20(3)19-13)18-15(21)17-10-7-12-5-8-16-9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H2,17,18,21)
InChIKeyFAQNWCQWEOMNMA-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.05
Rot. Bonds5

About 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea

1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea (PubChem CID 118793553) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea
PubChem CID118793553
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea
SMILESCCc1nn(C)c(NC(=O)NCCc2ccncc2)c1C
InChIInChI=1S/C15H21N5O/c1-4-13-11(2)14(20(3)19-13)18-15(21)17-10-7-12-5-8-16-9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H2,17,18,21)
InChIKeyFAQNWCQWEOMNMA-UHFFFAOYSA-N
XLogP2.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide
CID 134695978
5-[[(5-ethyl-2,4-dimethylpyrazol-3-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
CID 118774786
1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea
CID 118772160
N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide
CID 71848876
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea (CID 118793553) is 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea is CCc1nn(C)c(NC(=O)NCCc2ccncc2)c1C.
What is the InChIKey of 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea?
The InChIKey is FAQNWCQWEOMNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-13-11(2)14(20(3)19-13)18-15(21)17-10-7-12-5-8-16-9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea?
1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea has a molecular weight of 287.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 118793553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).