1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide

C11H14N4O2 — CID 154933810

IUPAC1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(C2COCCC2C#N)cc1C(N)=O
InChIInChI=1S/C11H14N4O2/c1-7-9(11(13)16)5-15(14-7)10-6-17-3-2-8(10)4-12/h5,8,10H,2-3,6H2,1H3,(H2,13,16)
InChIKeyREKPCPZTABLHQV-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.39
Rot. Bonds2

About 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide

1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide (PubChem CID 154933810) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide
PubChem CID154933810
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(C2COCCC2C#N)cc1C(N)=O
InChIInChI=1S/C11H14N4O2/c1-7-9(11(13)16)5-15(14-7)10-6-17-3-2-8(10)4-12/h5,8,10H,2-3,6H2,1H3,(H2,13,16)
InChIKeyREKPCPZTABLHQV-UHFFFAOYSA-N
XLogP0.39
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxylic acid
CID 155254944
3-anilino-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471136
3-anilino-1-[(3S)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 89471137
1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxamide
CID 164800737
1-[(3S,4R)-4-cyanooxan-3-yl]-3-[4-(dimethylcarbamoyl)anilino]pyrazole-4-carboxamide
CID 90343371
1-[(4S)-4-cyanooxan-3-yl]-3-[(2-hydroxy-3,4,8-trimethyl-1,2-benzoxaborinin-6-yl)amino]pyrazole-4-carboxamide
CID 164800643
1-[(3R)-4-cyanooxan-3-yl]-3-[(1-hydroxy-3-methyl-3H-2,1-benzoxaborol-5-yl)amino]pyrazole-4-carboxamide
CID 174013117
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(4-fluoro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)amino]pyrazole-4-carboxamide
CID 174012991
methyl 4-[[4-carbamoyl-1-[(3R,4S)-4-cyanooxan-3-yl]pyrazol-3-yl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 174013027
1-[(3R)-4-cyanooxan-3-yl]-3-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)amino]pyrazole-4-carboxamide
CID 174012995
methyl 5-[[4-carbamoyl-1-[(4S)-4-cyanooxan-3-yl]pyrazol-3-yl]amino]-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-methylbenzoate
CID 164800589
CID 164542945
CID 164542945

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide (CID 154933810) is 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide is Cc1nn(C2COCCC2C#N)cc1C(N)=O.
What is the InChIKey of 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide?
The InChIKey is REKPCPZTABLHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-9(11(13)16)5-15(14-7)10-6-17-3-2-8(10)4-12/h5,8,10H,2-3,6H2,1H3,(H2,13,16).
What are the key properties of 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide?
1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154933810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).