7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole

C19H26N4 — CID 120849175

IUPAC7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESCCn1nccc1C1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C19H26N4/c1-2-23-18(7-11-21-23)15-8-12-22(13-9-15)14-17-5-3-4-16-6-10-20-19(16)17/h3-5,7,11,15,20H,2,6,8-10,12-14H2,1H3
InChIKeyRCWWYCAHJMTYDJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.25
Rot. Bonds4

About 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole

7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole (PubChem CID 120849175) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
PubChem CID120849175
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESCCn1nccc1C1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C19H26N4/c1-2-23-18(7-11-21-23)15-8-12-22(13-9-15)14-17-5-3-4-16-6-10-20-19(16)17/h3-5,7,11,15,20H,2,6,8-10,12-14H2,1H3
InChIKeyRCWWYCAHJMTYDJ-UHFFFAOYSA-N
XLogP3.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole (CID 120849175) is 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole is CCn1nccc1C1CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
The InChIKey is RCWWYCAHJMTYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-23-18(7-11-21-23)15-8-12-22(13-9-15)14-17-5-3-4-16-6-10-20-19(16)17/h3-5,7,11,15,20H,2,6,8-10,12-14H2,1H3.
What are the key properties of 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole has a molecular weight of 310.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 120849175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).