2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C14H17N5 — CID 62488498

IUPAC2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1-n1ccc(C)n1)CCCC2
InChIInChI=1S/C14H17N5/c1-9-6-7-19(18-9)14-11(13(15)16)8-10-4-2-3-5-12(10)17-14/h6-8H,2-5H2,1H3,(H3,15,16)
InChIKeyCXRAJBVNEMLDST-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.74
Rot. Bonds2

About 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 62488498) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID62488498
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1-n1ccc(C)n1)CCCC2
InChIInChI=1S/C14H17N5/c1-9-6-7-19(18-9)14-11(13(15)16)8-10-4-2-3-5-12(10)17-14/h6-8H,2-5H2,1H3,(H3,15,16)
InChIKeyCXRAJBVNEMLDST-UHFFFAOYSA-N
XLogP1.74
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 66391531
2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 63219730
2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62487091
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 62410324
2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 62201293
2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 63697557
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 106922808
2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 107658503
4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 62488493
2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 63981692
2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702724
2-(3-hydroxypropylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 66113206

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 62488498) is 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1-n1ccc(C)n1)CCCC2.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is CXRAJBVNEMLDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-6-7-19(18-9)14-11(13(15)16)8-10-4-2-3-5-12(10)17-14/h6-8H,2-5H2,1H3,(H3,15,16).
What are the key properties of 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 62488498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).