1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide

C13H18N4O — CID 104694756

IUPAC1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCc2ccnn2C)C1
InChIInChI=1S/C13H18N4O/c1-10-7-13(8-10,9-14)12(18)15-5-3-11-4-6-16-17(11)2/h4,6,10H,3,5,7-8H2,1-2H3,(H,15,18)
InChIKeyUYLZTQGNAOUGPF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.02
Rot. Bonds4

About 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide

1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 104694756) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID104694756
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCc2ccnn2C)C1
InChIInChI=1S/C13H18N4O/c1-10-7-13(8-10,9-14)12(18)15-5-3-11-4-6-16-17(11)2/h4,6,10H,3,5,7-8H2,1-2H3,(H,15,18)
InChIKeyUYLZTQGNAOUGPF-UHFFFAOYSA-N
XLogP1.02
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 80501020
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
1-cyano-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 80593200
6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104693312
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
4-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxamide
CID 103006575
2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800
1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80502375
1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 113345657
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694448

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide (CID 104694756) is 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCCc2ccnn2C)C1.
What is the InChIKey of 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is UYLZTQGNAOUGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-7-13(8-10,9-14)12(18)15-5-3-11-4-6-16-17(11)2/h4,6,10H,3,5,7-8H2,1-2H3,(H,15,18).
What are the key properties of 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 104694756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).