1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea

C22H25N5O2 — CID 72718771

IUPAC1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
InChIInChI=1S/C22H25N5O2/c1-2-29-21-9-4-3-8-18(21)25-22(28)24-13-14-27-20(16-10-11-16)15-19(26-27)17-7-5-6-12-23-17/h3-9,12,15-16H,2,10-11,13-14H2,1H3,(H2,24,25,28)
InChIKeyAQBJZSABYLTCKS-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.04
Rot. Bonds8

About 1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea

1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea (PubChem CID 72718771) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
PubChem CID72718771
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCn1nc(-c2ccccn2)cc1C1CC1
InChIInChI=1S/C22H25N5O2/c1-2-29-21-9-4-3-8-18(21)25-22(28)24-13-14-27-20(16-10-11-16)15-19(26-27)17-7-5-6-12-23-17/h3-9,12,15-16H,2,10-11,13-14H2,1H3,(H2,24,25,28)
InChIKeyAQBJZSABYLTCKS-UHFFFAOYSA-N
XLogP4.04
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121139465
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
CID 72718704
1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 121019969
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 121139775
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574
(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide
CID 97427511
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
CID 90615426
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121139246
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide
CID 121139309
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 121078301

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea (CID 72718771) is 1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NCCn1nc(-c2ccccn2)cc1C1CC1.
What is the InChIKey of 1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is AQBJZSABYLTCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-29-21-9-4-3-8-18(21)25-22(28)24-13-14-27-20(16-10-11-16)15-19(26-27)17-7-5-6-12-23-17/h3-9,12,15-16H,2,10-11,13-14H2,1H3,(H2,24,25,28).
What are the key properties of 1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea?
1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 391.48 g/mol, XLogP of 4.04, 8 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-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 72718771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).