1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]

C12H19N3 — CID 96617702

IUPAC1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]
SMILESCn1ncc2c1C1(CCCCC1)CNC2
InChIInChI=1S/C12H19N3/c1-15-11-10(8-14-15)7-13-9-12(11)5-3-2-4-6-12/h8,13H,2-7,9H2,1H3
InChIKeyNNDBVWLYOMGUHK-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.73
Rot. Bonds

About 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]

1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane] (PubChem CID 96617702) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane].

Molecular Properties

Compound Name1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]
PubChem CID96617702
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]
SMILESCn1ncc2c1C1(CCCCC1)CNC2
InChIInChI=1S/C12H19N3/c1-15-11-10(8-14-15)7-13-9-12(11)5-3-2-4-6-12/h8,13H,2-7,9H2,1H3
InChIKeyNNDBVWLYOMGUHK-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane] with MolForge

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Related Compounds

spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]
CID 96606167
(6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]
CID 125449191
3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
CID 114667654
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
3,3-bis(1-methyl-4-nitropyrazol-5-yl)azepane
CID 174732706
1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine
CID 136965948
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 11242950
8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]
CID 142978817
2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione
CID 79503838
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-7-ol
CID 175870854
spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cyclopropane]
CID 96633509
(7-amino-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol
CID 83906528

Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]?
The IUPAC name of 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane] (CID 96617702) is 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane].
What is the SMILES notation for 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]?
The canonical SMILES for 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane] is Cn1ncc2c1C1(CCCCC1)CNC2.
What is the InChIKey of 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]?
The InChIKey is NNDBVWLYOMGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-11-10(8-14-15)7-13-9-12(11)5-3-2-4-6-12/h8,13H,2-7,9H2,1H3.
What are the key properties of 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]?
1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane] has a molecular weight of 205.30 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane] is sourced from PubChem (CID 96617702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).