1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

C13H20N6O — CID 51084492

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C13H20N6O/c1-11(9-19-7-3-5-15-19)17-13(20)14-6-4-12-8-16-18(2)10-12/h3,5,7-8,10-11H,4,6,9H2,1-2H3,(H2,14,17,20)
InChIKeySOYISDZJLJXLGG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.55
Rot. Bonds6

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 51084492) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID51084492
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C13H20N6O/c1-11(9-19-7-3-5-15-19)17-13(20)14-6-4-12-8-16-18(2)10-12/h3,5,7-8,10-11H,4,6,9H2,1-2H3,(H2,14,17,20)
InChIKeySOYISDZJLJXLGG-UHFFFAOYSA-N
XLogP0.55
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45831715
1-(2-Methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 91661487
N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 118762532
3-Ethyl-1-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 132284094
1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 164636152
(2S)-2-(difluoromethyl)-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 138009943
1-(1-Pyrazol-1-ylpropan-2-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 45831700
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 94031047
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 94031048
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 94031049
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 94031050
1-Propan-2-yl-3-(2-pyrazol-1-ylethyl)urea
CID 23548359

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 51084492) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is CC(Cn1cccn1)NC(=O)NCCc1cnn(C)c1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is SOYISDZJLJXLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-11(9-19-7-3-5-15-19)17-13(20)14-6-4-12-8-16-18(2)10-12/h3,5,7-8,10-11H,4,6,9H2,1-2H3,(H2,14,17,20).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 276.34 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 51084492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).