1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea

C20H23N5O — CID 71868268

IUPAC1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NC(C)c2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C20H23N5O/c1-15-7-8-17(14-22-15)9-11-21-20(26)24-16(2)18-5-3-6-19(13-18)25-12-4-10-23-25/h3-8,10,12-14,16H,9,11H2,1-2H3,(H2,21,24,26)
InChIKeyFLNBTSHAOVAOKN-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.18
Rot. Bonds6

About 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea

1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 71868268) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID71868268
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NC(C)c2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C20H23N5O/c1-15-7-8-17(14-22-15)9-11-21-20(26)24-16(2)18-5-3-6-19(13-18)25-12-4-10-23-25/h3-8,10,12-14,16H,9,11H2,1-2H3,(H2,21,24,26)
InChIKeyFLNBTSHAOVAOKN-UHFFFAOYSA-N
XLogP3.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120633546
1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 95904281
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516387
3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95906003
1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
CID 138026497
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 95906018
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 95906052
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 111455444
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 124877320

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea (CID 71868268) is 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)NC(C)c2cccc(-n3cccn3)c2)cn1.
What is the InChIKey of 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is FLNBTSHAOVAOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-7-8-17(14-22-15)9-11-21-20(26)24-16(2)18-5-3-6-19(13-18)25-12-4-10-23-25/h3-8,10,12-14,16H,9,11H2,1-2H3,(H2,21,24,26).
What are the key properties of 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea?
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 349.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 71868268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).