1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea

C20H23N5O — CID 138026497

IUPAC1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
SMILESCCc1nccc(C)c1NC(=O)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H23N5O/c1-4-18-19(14(2)9-11-21-18)24-20(26)23-15(3)16-7-5-8-17(13-16)25-12-6-10-22-25/h5-13,15H,4H2,1-3H3,(H2,23,24,26)
InChIKeyPHACPOFTBKAOCV-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.02
Rot. Bonds5

About 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea

1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 138026497) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID138026497
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
SMILESCCc1nccc(C)c1NC(=O)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H23N5O/c1-4-18-19(14(2)9-11-21-18)24-20(26)23-15(3)16-7-5-8-17(13-16)25-12-6-10-22-25/h5-13,15H,4H2,1-3H3,(H2,23,24,26)
InChIKeyPHACPOFTBKAOCV-UHFFFAOYSA-N
XLogP4.02
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 95904281
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
CID 71868268
2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide
CID 166217035
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 95906018
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide
CID 120793588
3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
CID 119139749
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 95906052
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea (CID 138026497) is 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea is CCc1nccc(C)c1NC(=O)NC(C)c1cccc(-n2cccn2)c1.
What is the InChIKey of 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is PHACPOFTBKAOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-18-19(14(2)9-11-21-18)24-20(26)23-15(3)16-7-5-8-17(13-16)25-12-6-10-22-25/h5-13,15H,4H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea?
1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 349.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 138026497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).