1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide

C10H12N4O — CID 78994363

IUPAC1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
SMILESCn1nccc1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C10H12N4O/c1-14-8(3-6-12-14)13-9(15)10(7-11)4-2-5-10/h3,6H,2,4-5H2,1H3,(H,13,15)
InChIKeyZXBVCTNWJBXKON-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.05
Rot. Bonds2

About 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide

1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide (PubChem CID 78994363) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
PubChem CID78994363
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
SMILESCn1nccc1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C10H12N4O/c1-14-8(3-6-12-14)13-9(15)10(7-11)4-2-5-10/h3,6H,2,4-5H2,1H3,(H,13,15)
InChIKeyZXBVCTNWJBXKON-UHFFFAOYSA-N
XLogP1.05
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 60678365
N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide
CID 110473533
1-[(2-methylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096981
1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 78995050
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
4-cyano-N-(2-methyl-1,2,4-triazol-3-yl)oxane-4-carboxamide
CID 80709863
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
CID 154752575
1-cyano-N-(1,2,4-triazin-3-yl)cyclobutane-1-carboxamide
CID 114387955
1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide
CID 127004619
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107600288
1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 114251204

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide (CID 78994363) is 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide is Cn1nccc1NC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide?
The InChIKey is ZXBVCTNWJBXKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-8(3-6-12-14)13-9(15)10(7-11)4-2-5-10/h3,6H,2,4-5H2,1H3,(H,13,15).
What are the key properties of 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide?
1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).