N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine

C17H20N4 — CID 91834255

IUPACN-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine
SMILESc1cc2cc(CN(CCc3cn[nH]c3)C3CC3)ccc2[nH]1
InChIInChI=1S/C17H20N4/c1-4-17-15(5-7-18-17)9-13(1)12-21(16-2-3-16)8-6-14-10-19-20-11-14/h1,4-5,7,9-11,16,18H,2-3,6,8,12H2,(H,19,20)
InChIKeyOZGIXYUNZGRCPD-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.10
Rot. Bonds6

About N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine

N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine (PubChem CID 91834255) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine
PubChem CID91834255
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine
SMILESc1cc2cc(CN(CCc3cn[nH]c3)C3CC3)ccc2[nH]1
InChIInChI=1S/C17H20N4/c1-4-17-15(5-7-18-17)9-13(1)12-21(16-2-3-16)8-6-14-10-19-20-11-14/h1,4-5,7,9-11,16,18H,2-3,6,8,12H2,(H,19,20)
InChIKeyOZGIXYUNZGRCPD-UHFFFAOYSA-N
XLogP3.10
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine (CID 91834255) is N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine is c1cc2cc(CN(CCc3cn[nH]c3)C3CC3)ccc2[nH]1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine?
The InChIKey is OZGIXYUNZGRCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-17-15(5-7-18-17)9-13(1)12-21(16-2-3-16)8-6-14-10-19-20-11-14/h1,4-5,7,9-11,16,18H,2-3,6,8,12H2,(H,19,20).
What are the key properties of N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine?
N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine has a molecular weight of 280.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 91834255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).