3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole

C16H18N4 — CID 127247080

IUPAC3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
SMILESc1ccc2c(CN3CCC(c4ccn[nH]4)C3)c[nH]c2c1
InChIInChI=1S/C16H18N4/c1-2-4-16-14(3-1)13(9-17-16)11-20-8-6-12(10-20)15-5-7-18-19-15/h1-5,7,9,12,17H,6,8,10-11H2,(H,18,19)
InChIKeyKXNHWPAXVGYBCS-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.88
Rot. Bonds3

About 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole

3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole (PubChem CID 127247080) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
PubChem CID127247080
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
SMILESc1ccc2c(CN3CCC(c4ccn[nH]4)C3)c[nH]c2c1
InChIInChI=1S/C16H18N4/c1-2-4-16-14(3-1)13(9-17-16)11-20-8-6-12(10-20)15-5-7-18-19-15/h1-5,7,9,12,17H,6,8,10-11H2,(H,18,19)
InChIKeyKXNHWPAXVGYBCS-UHFFFAOYSA-N
XLogP2.88
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole
CID 124970706
4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 155258244
2-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 75615332
3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
CID 155258071
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenethiol
CID 155258161
5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137269
3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 155258172
4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
CID 125009893
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124954952

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole (CID 127247080) is 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole is c1ccc2c(CN3CCC(c4ccn[nH]4)C3)c[nH]c2c1.
What is the InChIKey of 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole?
The InChIKey is KXNHWPAXVGYBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-4-16-14(3-1)13(9-17-16)11-20-8-6-12(10-20)15-5-7-18-19-15/h1-5,7,9,12,17H,6,8,10-11H2,(H,18,19).
What are the key properties of 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole?
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole has a molecular weight of 266.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 127247080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).