N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide

C17H20N4O2 — CID 119064122

IUPACN-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc2[nH]c(CNC(=O)c3ccn(C(C)C)n3)cc2c1
InChIInChI=1S/C17H20N4O2/c1-11(2)21-7-6-16(20-21)17(22)18-10-13-8-12-9-14(23-3)4-5-15(12)19-13/h4-9,11,19H,10H2,1-3H3,(H,18,22)
InChIKeyZSJWXTMOSFQPOZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.88
Rot. Bonds5

About N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 119064122) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID119064122
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc2[nH]c(CNC(=O)c3ccn(C(C)C)n3)cc2c1
InChIInChI=1S/C17H20N4O2/c1-11(2)21-7-6-16(20-21)17(22)18-10-13-8-12-9-14(23-3)4-5-15(12)19-13/h4-9,11,19H,10H2,1-3H3,(H,18,22)
InChIKeyZSJWXTMOSFQPOZ-UHFFFAOYSA-N
XLogP2.88
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 77096559
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 119068950
N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131952288
3-[4-(hydroxymethyl)thiophen-2-yl]-N-[(5-methoxy-1H-indol-2-yl)methyl]prop-2-enamide
CID 171139598
3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide
CID 91795395
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 131948284
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623530
(2S)-2-acetamido-3-(1H-imidazol-5-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide
CID 91796014
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 119064122) is N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide is COc1ccc2[nH]c(CNC(=O)c3ccn(C(C)C)n3)cc2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is ZSJWXTMOSFQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(2)21-7-6-16(20-21)17(22)18-10-13-8-12-9-14(23-3)4-5-15(12)19-13/h4-9,11,19H,10H2,1-3H3,(H,18,22).
What are the key properties of N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-2-yl)methyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 119064122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).