2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide

C11H14N4O — CID 110470107

IUPAC2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
SMILESCn1ncc2c1CCCC2NC(=O)CC#N
InChIInChI=1S/C11H14N4O/c1-15-10-4-2-3-9(8(10)7-13-15)14-11(16)5-6-12/h7,9H,2-5H2,1H3,(H,14,16)
InChIKeyUPVSXWBQLNOPGL-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.83
Rot. Bonds2

About 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide

2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide (PubChem CID 110470107) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
PubChem CID110470107
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
SMILESCn1ncc2c1CCCC2NC(=O)CC#N
InChIInChI=1S/C11H14N4O/c1-15-10-4-2-3-9(8(10)7-13-15)14-11(16)5-6-12/h7,9H,2-5H2,1H3,(H,14,16)
InChIKeyUPVSXWBQLNOPGL-UHFFFAOYSA-N
XLogP0.83
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 54925355
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
CID 43712066
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119730410
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730423
2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide?
The IUPAC name of 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide (CID 110470107) is 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide is Cn1ncc2c1CCCC2NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide?
The InChIKey is UPVSXWBQLNOPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-10-4-2-3-9(8(10)7-13-15)14-11(16)5-6-12/h7,9H,2-5H2,1H3,(H,14,16).
What are the key properties of 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide?
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide has a molecular weight of 218.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide is sourced from PubChem (CID 110470107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).