1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea

C11H17N7O — CID 72935395

IUPAC1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea
SMILESCCN(CCn1cccn1)C(=O)Nc1cn(C)nn1
InChIInChI=1S/C11H17N7O/c1-3-17(7-8-18-6-4-5-12-18)11(19)13-10-9-16(2)15-14-10/h4-6,9H,3,7-8H2,1-2H3,(H,13,19)
InChIKeyKAMLYVJXWHQKCA-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.57
Rot. Bonds5

About 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea

1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea (PubChem CID 72935395) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea
PubChem CID72935395
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea
SMILESCCN(CCn1cccn1)C(=O)Nc1cn(C)nn1
InChIInChI=1S/C11H17N7O/c1-3-17(7-8-18-6-4-5-12-18)11(19)13-10-9-16(2)15-14-10/h4-6,9H,3,7-8H2,1-2H3,(H,13,19)
InChIKeyKAMLYVJXWHQKCA-UHFFFAOYSA-N
XLogP0.57
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea
CID 118782620
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
1-[2-(2-fluorophenoxy)ethyl]-1-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)urea
CID 74250651
N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide
CID 131925005
1-ethyl-3-(1-propylpyrrolidin-3-yl)-1-(2-pyrazol-1-ylethyl)urea
CID 131947082
1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
CID 173085347
N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 56865921
N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 91782708
N-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 91771673
N-(1-methyltriazol-4-yl)-2-pyridin-3-ylacetamide
CID 112535349
(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279816
(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97120937

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea (CID 72935395) is 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea is CCN(CCn1cccn1)C(=O)Nc1cn(C)nn1.
What is the InChIKey of 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea?
The InChIKey is KAMLYVJXWHQKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-17(7-8-18-6-4-5-12-18)11(19)13-10-9-16(2)15-14-10/h4-6,9H,3,7-8H2,1-2H3,(H,13,19).
What are the key properties of 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea?
1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea has a molecular weight of 263.31 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 72935395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).