1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea

C20H21N5O — CID 72718704

IUPAC1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1nc(-c2ccncc2)cc1C1CC1)Nc1ccccc1
InChIInChI=1S/C20H21N5O/c26-20(23-17-4-2-1-3-5-17)22-12-13-25-19(16-6-7-16)14-18(24-25)15-8-10-21-11-9-15/h1-5,8-11,14,16H,6-7,12-13H2,(H2,22,23,26)
InChIKeyXKIKOLZEHWTORA-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.64
Rot. Bonds6

About 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea

1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea (PubChem CID 72718704) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
PubChem CID72718704
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1nc(-c2ccncc2)cc1C1CC1)Nc1ccccc1
InChIInChI=1S/C20H21N5O/c26-20(23-17-4-2-1-3-5-17)22-12-13-25-19(16-6-7-16)14-18(24-25)15-8-10-21-11-9-15/h1-5,8-11,14,16H,6-7,12-13H2,(H2,22,23,26)
InChIKeyXKIKOLZEHWTORA-UHFFFAOYSA-N
XLogP3.64
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide
CID 97427511
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 121019969
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
CID 72718695
1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 72718802
1-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121139465
1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 121139470
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide
CID 72718711
1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
CID 72718771
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 72718696
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide
CID 121139309
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 119102738

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea (CID 72718704) is 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea is O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)Nc1ccccc1.
What is the InChIKey of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea?
The InChIKey is XKIKOLZEHWTORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(23-17-4-2-1-3-5-17)22-12-13-25-19(16-6-7-16)14-18(24-25)15-8-10-21-11-9-15/h1-5,8-11,14,16H,6-7,12-13H2,(H2,22,23,26).
What are the key properties of 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea?
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea has a molecular weight of 347.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 72718704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).