1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea

C11H15N5O — CID 47200898

IUPAC1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
SMILESCc1cc(NC(=O)NC2CC2)n(CCC#N)n1
InChIInChI=1S/C11H15N5O/c1-8-7-10(16(15-8)6-2-5-12)14-11(17)13-9-3-4-9/h7,9H,2-4,6H2,1H3,(H2,13,14,17)
InChIKeyPNBORABUJQNZMG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea

1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea (PubChem CID 47200898) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
PubChem CID47200898
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
SMILESCc1cc(NC(=O)NC2CC2)n(CCC#N)n1
InChIInChI=1S/C11H15N5O/c1-8-7-10(16(15-8)6-2-5-12)14-11(17)13-9-3-4-9/h7,9H,2-4,6H2,1H3,(H2,13,14,17)
InChIKeyPNBORABUJQNZMG-UHFFFAOYSA-N
XLogP1.39
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
(2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124886686
(3S)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94816058
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 71943624
(E)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(4-cyanophenyl)prop-2-enamide
CID 47074398
5-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 47785354
methyl 5-[[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51096845
(2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 95318638
2-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 47017202
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 51096831
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 47785235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea?
The IUPAC name of 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea (CID 47200898) is 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea is Cc1cc(NC(=O)NC2CC2)n(CCC#N)n1.
What is the InChIKey of 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea?
The InChIKey is PNBORABUJQNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-7-10(16(15-8)6-2-5-12)14-11(17)13-9-3-4-9/h7,9H,2-4,6H2,1H3,(H2,13,14,17).
What are the key properties of 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea?
1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea has a molecular weight of 233.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea is sourced from PubChem (CID 47200898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).