1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea

C15H21N5O2 — CID 75507990

IUPAC1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCCc1nn(C)c(OC)c1CNC(=O)Nc1cccc(C)n1
InChIInChI=1S/C15H21N5O2/c1-5-12-11(14(22-4)20(3)19-12)9-16-15(21)18-13-8-6-7-10(2)17-13/h6-8H,5,9H2,1-4H3,(H2,16,17,18,21)
InChIKeyNZGLZUMOERVTRC-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.02
Rot. Bonds5

About 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea

1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 75507990) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID75507990
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCCc1nn(C)c(OC)c1CNC(=O)Nc1cccc(C)n1
InChIInChI=1S/C15H21N5O2/c1-5-12-11(14(22-4)20(3)19-12)9-16-15(21)18-13-8-6-7-10(2)17-13/h6-8H,5,9H2,1-4H3,(H2,16,17,18,21)
InChIKeyNZGLZUMOERVTRC-UHFFFAOYSA-N
XLogP2.02
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507942
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75523319
methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate
CID 133445681
1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
CID 108894432
methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate
CID 126839933
2-ethyl-5-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822737
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 136549096
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
CID 46274745
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133445612

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea (CID 75507990) is 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea is CCc1nn(C)c(OC)c1CNC(=O)Nc1cccc(C)n1.
What is the InChIKey of 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is NZGLZUMOERVTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-5-12-11(14(22-4)20(3)19-12)9-16-15(21)18-13-8-6-7-10(2)17-13/h6-8H,5,9H2,1-4H3,(H2,16,17,18,21).
What are the key properties of 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea?
1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 303.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75507990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).