1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide

C17H22N4O2 — CID 167770980

IUPAC1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide
SMILESCCCn1cc(NC(=O)C2(N)CCc3c(OC)cccc32)cn1
InChIInChI=1S/C17H22N4O2/c1-3-9-21-11-12(10-19-21)20-16(22)17(18)8-7-13-14(17)5-4-6-15(13)23-2/h4-6,10-11H,3,7-9,18H2,1-2H3,(H,20,22)
InChIKeyRBYKJPMKNDYCAE-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.04
Rot. Bonds5

About 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide

1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide (PubChem CID 167770980) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide
PubChem CID167770980
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide
SMILESCCCn1cc(NC(=O)C2(N)CCc3c(OC)cccc32)cn1
InChIInChI=1S/C17H22N4O2/c1-3-9-21-11-12(10-19-21)20-16(22)17(18)8-7-13-14(17)5-4-6-15(13)23-2/h4-6,10-11H,3,7-9,18H2,1-2H3,(H,20,22)
InChIKeyRBYKJPMKNDYCAE-UHFFFAOYSA-N
XLogP2.04
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 141484732
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CID 32610757
2-(3,4-dimethoxyphenyl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 35281821
2-(3,4-dimethoxyphenyl)-N-(1-isopropyl-1H-pyrazol-4-yl)acetamide
CID 132419100
N-(1-(tert-butyl)-1H-pyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 162648969
(1R)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 164635186
(1R)-7-methoxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 164638557
2-(5-fluoro-2-methoxyphenyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 177664511
2-(2-fluoro-3-methoxyphenyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 177665416
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19336527
3-methoxy-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340821
3-methoxy-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346905

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide (CID 167770980) is 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide is CCCn1cc(NC(=O)C2(N)CCc3c(OC)cccc32)cn1.
What is the InChIKey of 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide?
The InChIKey is RBYKJPMKNDYCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-9-21-11-12(10-19-21)20-16(22)17(18)8-7-13-14(17)5-4-6-15(13)23-2/h4-6,10-11H,3,7-9,18H2,1-2H3,(H,20,22).
What are the key properties of 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide?
1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methoxy-N-(1-propylpyrazol-4-yl)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 167770980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).