1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide

C20H24N4O2 — CID 136538449

IUPAC1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C3CCCOC3)nn2C)c2ccccc21
InChIInChI=1S/C20H24N4O2/c1-3-24-12-16(15-8-4-5-9-18(15)24)20(25)21-19-11-17(22-23(19)2)14-7-6-10-26-13-14/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3,(H,21,25)
InChIKeyMQVHFANSGPPZRX-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.54
Rot. Bonds4

About 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide

1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide (PubChem CID 136538449) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide
PubChem CID136538449
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C3CCCOC3)nn2C)c2ccccc21
InChIInChI=1S/C20H24N4O2/c1-3-24-12-16(15-8-4-5-9-18(15)24)20(25)21-19-11-17(22-23(19)2)14-7-6-10-26-13-14/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3,(H,21,25)
InChIKeyMQVHFANSGPPZRX-UHFFFAOYSA-N
XLogP3.54
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide
CID 122143752
1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea
CID 155957495
1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone
CID 115092483
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide
CID 46532818
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
(3aS,6aR)-2-[[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122092130
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate
CID 42890150
N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide
CID 3468790
1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one
CID 97454098
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 110104217
(4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-(1-ethylindol-3-yl)methanone
CID 128669907
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide
CID 46998627

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide (CID 136538449) is 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide is CCn1cc(C(=O)Nc2cc(C3CCCOC3)nn2C)c2ccccc21.
What is the InChIKey of 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide?
The InChIKey is MQVHFANSGPPZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-24-12-16(15-8-4-5-9-18(15)24)20(25)21-19-11-17(22-23(19)2)14-7-6-10-26-13-14/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3,(H,21,25).
What are the key properties of 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide?
1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide is sourced from PubChem (CID 136538449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).