N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C16H18N4O2 — CID 16925355

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N4O2/c1-20-10-13(16(19-20)22-2)15(21)17-8-7-11-9-18-14-6-4-3-5-12(11)14/h3-6,9-10,18H,7-8H2,1-2H3,(H,17,21)
InChIKeyMWUYMKDGOVVYGD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 16925355) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID16925355
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N4O2/c1-20-10-13(16(19-20)22-2)15(21)17-8-7-11-9-18-14-6-4-3-5-12(11)14/h3-6,9-10,18H,7-8H2,1-2H3,(H,17,21)
InChIKeyMWUYMKDGOVVYGD-UHFFFAOYSA-N
XLogP1.88
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 16925355) is N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is MWUYMKDGOVVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20-10-13(16(19-20)22-2)15(21)17-8-7-11-9-18-14-6-4-3-5-12(11)14/h3-6,9-10,18H,7-8H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 16925355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).