1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea

C21H24N6O — CID 121019969

IUPAC1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCn2nc(-c3cnccn3)cc2C2CC2)cc1C
InChIInChI=1S/C21H24N6O/c1-14-3-6-17(11-15(14)2)25-21(28)24-9-10-27-20(16-4-5-16)12-18(26-27)19-13-22-7-8-23-19/h3,6-8,11-13,16H,4-5,9-10H2,1-2H3,(H2,24,25,28)
InChIKeySNQRYNZUCIJABC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.66
Rot. Bonds6

About 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea

1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 121019969) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
PubChem CID121019969
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCn2nc(-c3cnccn3)cc2C2CC2)cc1C
InChIInChI=1S/C21H24N6O/c1-14-3-6-17(11-15(14)2)25-21(28)24-9-10-27-20(16-4-5-16)12-18(26-27)19-13-22-7-8-23-19/h3,6-8,11-13,16H,4-5,9-10H2,1-2H3,(H2,24,25,28)
InChIKeySNQRYNZUCIJABC-UHFFFAOYSA-N
XLogP3.66
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
CID 72718704
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 119102745
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 119102746
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 119102738
1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 91628992
1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
CID 72718771
1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 121139470
5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide
CID 121019977
1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121642
1-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121139465
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 121139775
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea (CID 121019969) is 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCCn2nc(-c3cnccn3)cc2C2CC2)cc1C.
What is the InChIKey of 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is SNQRYNZUCIJABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-3-6-17(11-15(14)2)25-21(28)24-9-10-27-20(16-4-5-16)12-18(26-27)19-13-22-7-8-23-19/h3,6-8,11-13,16H,4-5,9-10H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea?
1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 376.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 121019969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).