2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile

C10H13N3 — CID 82591730

IUPAC2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile
SMILESCn1ncc2c1CCCC2CC#N
InChIInChI=1S/C10H13N3/c1-13-10-4-2-3-8(5-6-11)9(10)7-12-13/h7-8H,2-5H2,1H3
InChIKeyZPDZLVXTORXMCP-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.75
Rot. Bonds1

About 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile

2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile (PubChem CID 82591730) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile
PubChem CID82591730
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile
SMILESCn1ncc2c1CCCC2CC#N
InChIInChI=1S/C10H13N3/c1-13-10-4-2-3-8(5-6-11)9(10)7-12-13/h7-8H,2-5H2,1H3
InChIKeyZPDZLVXTORXMCP-UHFFFAOYSA-N
XLogP1.75
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591812
2-[1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591808
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861581
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile
CID 62962746
2-[1-(4-methyl-3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591820
(4S)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 92546797
2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propan-1-amine
CID 83907636
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
2-[3-(4-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82592040
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
2-[3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]phenoxy]acetonitrile
CID 43721285

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile?
The IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile (CID 82591730) is 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile?
The canonical SMILES for 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile is Cn1ncc2c1CCCC2CC#N.
What is the InChIKey of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile?
The InChIKey is ZPDZLVXTORXMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13-10-4-2-3-8(5-6-11)9(10)7-12-13/h7-8H,2-5H2,1H3.
What are the key properties of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile?
2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile is sourced from PubChem (CID 82591730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).