7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

C13H15N3 — CID 106781757

IUPAC7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1ccc(-c2ccc3c(c2)NCCC3)n1
InChIInChI=1S/C13H15N3/c1-16-8-6-12(15-16)11-5-4-10-3-2-7-14-13(10)9-11/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyUGWZWDIWVQICRJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.45
Rot. Bonds1

About 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106781757) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106781757
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1ccc(-c2ccc3c(c2)NCCC3)n1
InChIInChI=1S/C13H15N3/c1-16-8-6-12(15-16)11-5-4-10-3-2-7-14-13(10)9-11/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyUGWZWDIWVQICRJ-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698588
7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 81224329
8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781756
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224481
6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydro-1,5-naphthyridine;propane
CID 142484426
7-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224448
7-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
CID 81230530
ethane;7-methyl-1,2,3,4-tetrahydroquinoline
CID 142224426
7-(1H-pyrazolo[5,4-c]pyridin-3-yl)-1,2,3,4-tetrahydroquinoline
CID 170703621
7-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
CID 107290133
6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698590
7-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224636

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 106781757) is 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is Cn1ccc(-c2ccc3c(c2)NCCC3)n1.
What is the InChIKey of 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is UGWZWDIWVQICRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-8-6-12(15-16)11-5-4-10-3-2-7-14-13(10)9-11/h4-6,8-9,14H,2-3,7H2,1H3.
What are the key properties of 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).