1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea

C14H19N5O — CID 47128145

IUPAC1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCN(Cc1cnn(C)c1)C(=O)NCCc1ccccn1
InChIInChI=1S/C14H19N5O/c1-18(10-12-9-17-19(2)11-12)14(20)16-8-6-13-5-3-4-7-15-13/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,16,20)
InChIKeyINTOQZCOXPZUTN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.20
Rot. Bonds5

About 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 47128145) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID47128145
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
SMILESCN(Cc1cnn(C)c1)C(=O)NCCc1ccccn1
InChIInChI=1S/C14H19N5O/c1-18(10-12-9-17-19(2)11-12)14(20)16-8-6-13-5-3-4-7-15-13/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,16,20)
InChIKeyINTOQZCOXPZUTN-UHFFFAOYSA-N
XLogP1.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate
CID 86812578
1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
CID 103023920
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115289665
2-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194623
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 94030439
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 55809589
1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 30302557
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 51099727
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61184520
2-(4-aminopyrazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 43382460

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea (CID 47128145) is 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea is CN(Cc1cnn(C)c1)C(=O)NCCc1ccccn1.
What is the InChIKey of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is INTOQZCOXPZUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(10-12-9-17-19(2)11-12)14(20)16-8-6-13-5-3-4-7-15-13/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea?
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 273.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 47128145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).